Basic information
- CAS
726-78-3- Standard SMILES
CCC1(C2=CCCCC2)C(=O)NC(=O)N(C)C1=O- InChIKey
WPRPRRYHBBCMLM-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- N-Methylcyclobarbital
- IUPAC
- 5-(cyclohexen-1-yl)-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
- English name
- N-methylcyclobarbital
- Molecular formula
- C13H18N2O3
- Molecular weight
- 250.296
Names & synonyms
N-Methylcyclobarbital726-78-3DTXSID50874455RefChem:163814DTXCID2010125812,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl-1-methyl-5-(cyclohex-1-en-1-yl)-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trioneN-methyl-5-(1-cyclohexen-1-yl)-5-ethylbarbituric acid
Database identifiers
- CAS
726-78-3- PubChem CID
- 102473
- DTXSID
DTXSID50874455- Nikkaji
- J1.603.421E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 442
Experimental & physicochemical properties
LogP2.25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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