Basic information
- CAS
131613-16-6- Standard SMILES
C=C(C)CN1Cc2cccc3[nH]c(=O)n(c23)CC1C- InChIKey
IIUBASIWSTXESN-UHFFFAOYSA-N- Molecular formula
- C15H19N3O
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.15281224
Names & identifiers
- Preferred name
- 6-(2-Methyl-2-propenyl)-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
- IUPAC
- 11-methyl-10-(2-methylprop-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
131613-16-6CHEMBL658016-(2-Methyl-2-propenyl)-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-methyl-2-propenyl)-, (1)-SCHEMBL9676122DTXSID80927286BDBM500102518-Methyl-7-(2-methyl-allyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one(+/-)-6-(2-Methyl-2-propenyl)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one(S-(+))-8-Methyl-7-(2-methyl-allyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one5-Methyl-6-(2-methylprop-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol
Database identifiers
- CAS
131613-16-6- PubChem CID
- 452811
- DTXSID
DTXSID80927286- ChEMBL
CHEMBL65801- Nikkaji
- J374.274A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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