6-(3-Methylenebuten-4-yl)-4,5,6,7-tetrahydro-5-methylimidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
Basic information
- CAS
131515-15-6- Standard SMILES
C=CC(=C)CN1Cc2cccc3[nH]c(=O)n(c23)CC1C- InChIKey
OCQQWRJYRKNKJW-UHFFFAOYSA-N- Molecular formula
- C16H19N3O
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.15281224
Names & identifiers
- Preferred name
- 6-(3-Methylenebuten-4-yl)-4,5,6,7-tetrahydro-5-methylimidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one
- IUPAC
- 11-methyl-10-(2-methylidenebut-3-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
131515-15-66-(3-Methylenebuten-4-yl)-4,5,6,7-tetrahydro-5-methylimidazo-(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-methylene-3-butenyl)-, (1)-6-(3-Methylenebuten-4-yl)-4,5,6,7-tetrahydro-5-methylimidazo-[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-methylene-3-butenyl)-, (1)-CHEMBL165660DTXSID80927246methyl(2-methylenebut-3-enyl)[?]one5-Methyl-6-(2-methylidenebut-3-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol
Database identifiers
- CAS
131515-15-6- PubChem CID
- 452846
- DTXSID
DTXSID80927246- ChEMBL
CHEMBL165660- Nikkaji
- J374.314D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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