Basic information
- CAS
66941-96-6- Standard SMILES
C=CCC1(CC=C)C(=O)NC(=O)N(Cc2ccccc2)C1=O- InChIKey
DMNLJTFWKSDUEN-UHFFFAOYSA-N- Molecular formula
- C17H18N2O3
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 1-benzyl-5,5-diallyl-
- IUPAC
- 1-benzyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diallyl-1-benzylbarbituric acid
- Molecular formula
- C17H18N2O3
- Molecular weight
- 298.34
Names & synonyms
BARBITURIC ACID, 1-BENZYL-5,5-DIALLYL-66941-96-6BRN 02725931-Benzyl-5,5-diallylbarbituric acidDTXSID602171375-24-09-00248 (Beilstein Handbook Reference)RefChem:320628DTXCID601396285,5-Diallyl-1-benzylbarbituric acid1-benzyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trioneOprea1_637020SCHEMBL2045404
Show more names
5,5-Diallyl-1-benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(phenylmethyl)-5,5-di-2-propen-1-yl-
SR-01000197634SR-01000197634-11-Benzyl-5,5-di(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
66941-96-6- PubChem CID
- 48576
- DTXSID
DTXSID60217137- Nikkaji
- J93.476C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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