N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide
Basic information
- CAS
75959-73-8- Standard SMILES
CCCC(=O)Nc1ccc(C2=NNC(=O)C3CC23)cc1- InChIKey
VJGVELLBPBTDTK-UHFFFAOYSA-N- Molecular formula
- C15H17N3O2
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.13207679
Names & identifiers
- Preferred name
- N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide
- IUPAC
- N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide
Names & synonyms
75959-73-8NSC360292NSC 360292N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamideNSC-360292N-(4-(5-Oxo-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)phenyl)butanamideN-(4-(5-Oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl)butanamideK79TC4W5Z9SCHEMBL11361937DTXSID10997316Butanamide, N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]-N-[4-(5-Hydroxy-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)phenyl]butanamide
Database identifiers
- CAS
75959-73-8- PubChem CID
- 338336
- DTXSID
DTXSID10997316- UNII
- K79TC4W5Z9
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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