3-Methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Basic information
- CAS
258849-83-1- Standard SMILES
CC(C)=CCN1Cc2ccccc2NC(=O)C1C- InChIKey
UQQZLICQYDBFRY-UHFFFAOYSA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Names & identifiers
- Preferred name
- 3-Methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
- IUPAC
- 3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
258849-83-13-Methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-3-methyl-4-(3-methyl-2-butenyl)-DTXSID409487703-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one3-Methyl-4-(3-methylbut-2-en-1-yl)-4,5-dihydro-3H-1,4-benzodiazepin-2-ol
Database identifiers
- CAS
258849-83-1- PubChem CID
- 475608
- DTXSID
DTXSID40948770
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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