Basic information
- CAS
131613-15-5- Standard SMILES
C=CCN1Cc2cccc3[nH]c(=O)n(c23)CC1C- InChIKey
OYQVBYVHKBMZGU-UHFFFAOYSA-N- Molecular formula
- C14H17N3O
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.13716217
Names & identifiers
- Preferred name
- (+-)-4,5,6,7-Tetrahydro-5-methyl-6-(2-propenyl)-imidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
- IUPAC
- 11-methyl-10-prop-2-enyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
R14458R 14458131613-15-5(+-)-4,5,6,7-Tetrahydro-5-methyl-6-(2-propenyl)-imidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-oneImidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(2-propenyl)-, (1)-allyl(methyl)[?]oneCHEMBL348795SCHEMBL6363122(+/-)-4,5,6,7-Tetrahydro-5-methyl-6-(2-propenyl)-imidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one
Database identifiers
- CAS
131613-15-5- PubChem CID
- 451620
- ChEMBL
CHEMBL348795- Nikkaji
- J374.272E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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