Basic information
- CAS
66941-63-7- Standard SMILES
C=CCC1(C(=C)OCC)C(=O)NC(=O)NC1=O- InChIKey
QQGASJIJNLPJKJ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-5-(1-ethoxyvinyl)-
- IUPAC
- 5-(1-ethoxyethenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-5-(1-ethoxyvinyl)barbituric acid
- Molecular formula
- C11H14N2O4
- Molecular weight
- 238.24
Names & synonyms
BRN 02399925-Allyl-5-(1-ethoxyvinyl)barbituric acidBARBITURIC ACID, 5-ALLYL-5-(1-ETHOXYVINYL)-66941-63-7DTXSID302171244-25-00-00460 (Beilstein Handbook Reference)RefChem:320745DTXCID301396155-(1-Ethoxyethen-1-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-Allyl-5-(1-ethoxyvinyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-ethoxyethenyl)-5-(2-propen-1-yl)-
Database identifiers
- CAS
66941-63-7- PubChem CID
- 48535
- DTXSID
DTXSID30217124- Nikkaji
- J84.837I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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