Molecular Weight of APROBARBITAL (C10H14N2O3)
Identification of APROBARBITAL Chemical Compound
Chemical Formula | C10H14N2O3 |
---|---|
Molecular Weight | 210.22976 g/mol |
IUPAC Name | 5-(prop-2-en-1-yl)-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione |
SMILES String | CC(C)C1(CC=C)C(=O)NC(=O)NC1=O |
InChI | InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15) |
InChIKey | UORJNBVJVRLXMQ-UHFFFAOYSA-N |
Molecular Weight Description
The APROBARBITAL molecule consists of 14 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), and 3 Oxygen atom(s) - a total of 29 atom(s). The molecular weight of APROBARBITAL is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 210.22976 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying APROBARBITAL Molecule
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Structure Data File (SDF/MOL File) of APROBARBITAL
The structure data file (SDF/MOL File) of APROBARBITAL is available for download in the SDF page of APROBARBITAL, which provides the information on atoms, bonds, connectivity and coordinates of APROBARBITAL. The APROBARBITAL structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of APROBARBITAL
The molecular structure image of APROBARBITAL is available in chemical structure page of APROBARBITAL, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in APROBARBITAL and the chemical bonds that hold the atoms together.
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Chemical formula of APROBARBITAL
The molecular formula of APROBARBITAL is given in chemical formula page of APROBARBITAL, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of APROBARBITAL
In addition to the molecular weight information, the structural information of APROBARBITAL in a textual expression is available via InChi. The full standard InChI of APROBARBITAL is given below:
InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
It can provide a way to encode the molecular information of APROBARBITAL to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of APROBARBITAL is:
InChIKey=UORJNBVJVRLXMQ-UHFFFAOYSA-N
It may allow easier web searches for APROBARBITAL. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the APROBARBITAL as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of APROBARBITAL
There may be different names of the APROBARBITAL compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 5-(methylethyl)-5-prop-2-enyl-1,3,5-trihydropyrimidine-2,4,6-trione
- 2,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-
- 5-Allyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- EN300-246884
- APROBARBITAL METHANOL SOLUTION
- APROBARBITALMETHANOLSOLUTION
- Q0YKG9L6RF
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)- (9CI)
- 5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
- 5-(1-methylethyl)-5-prop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione
- 5-allyl 5-isopropyl barbituric acid
- 5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- D00698
- 5-allyl-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione
- 125-88-2 (mono-hydrochloride salt)
- 5-(1-Methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-
- Aprobarbital (INN)
- Alurate (TN)
- Aprobarbital [INN:DCF]
- Aprobarbitalum [INN-Latin]
- Aprobarbitale [DCIT]
- Barbituric acid, 5-allyl-5-isopropyl-
- Aprobarbitalum
- Aprobarbitale
- 77-02-1
- 5-Allyl-5-isopropylbarbiturate
- 5-Isopropyl-5-allylbarbituric acid
- Isonal (swedish)
- 5-Allyl-5-isopropylbarbituric acid
- Allypropymalum
- Isopropylallylbarbituric acid
- Allylisopropylbarbituric acid
- Alurate elixir verdum
- Allylisopropylmalonylurea
- Numal
- Aprozal
- Aprobarbita
- Allional
- Allonal
- Alurate
- Aprobarbitone
- Allylpropymal
- Allypropymal
- APROBARBITAL
APROBARBITAL Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of APROBARBITAL? |
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C10H14N2O3 |
How many atoms and what are the elements in the APROBARBITAL molecule? |
29 atom(s) - 14 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the APROBARBITAL structure? |
29 bond(s) - 15 non-H bond(s), 4 multiple bond(s), 3 rotatable bond(s), 4 double bond(s), 1 six-membered ring(s), 1 urea (-thio) derivative(s), and 2 imide(s) (-thio) |
What’s the molar mass of APROBARBITAL? |
210.22976 g/mol |
What’s the SMILES format of APROBARBITAL? |
CC(C)C1(CC=C)C(=O)NC(=O)NC1=O |
What’s the InChI format of APROBARBITAL? |
InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15) |
What’s the InChIKey string of APROBARBITAL? |
UORJNBVJVRLXMQ-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).