Basic information
- CAS
66940-56-5- Standard SMILES
CC1(CC=C2CCCCC2)C(=O)NC(=O)NC1=O- InChIKey
MPNREBGLZWOWPC-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-cyclohexylideneethyl)-5-methyl-
- IUPAC
- 5-(2-cyclohexylideneethyl)-5-methyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Cyclohexylideneethyl)-5-methylbarbituric acid
- Molecular formula
- C13H18N2O3
- Molecular weight
- 250.29
Names & synonyms
BRN 0218790BARBITURIC ACID, 5-(2-CYCLOHEXYLIDENEETHYL)-5-METHYL-5-(2-Cyclohexylideneethyl)-5-methylbarbituric acid66940-56-5DTXSID302170884-24-00-02057 (Beilstein Handbook Reference)RefChem:320688DTXCID301395795-(2-cyclohexylideneethyl)-5-methyl-1,3-diazinane-2,4,6-trione5-(2-Cyclohexylideneethyl)-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclohexylideneethyl)-5-methyl-
Database identifiers
- CAS
66940-56-5- PubChem CID
- 48403
- DTXSID
DTXSID30217088- Nikkaji
- J105.421J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…