3-(4-hydroxy-3-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)-N-methylprop-2-enamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
68373-93-3- Standard SMILES
CNC(=O)C=CC1=CN2C(=O)c3ccc(C)c(O)c3N=CC2C1- InChIKey
MIRDYORRENSRNI-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3
- Average molar mass
- 311.33 g/mol
- Monoisotopic mass
- 311.12699141
Names & identifiers
- Preferred name
- 3-(4-hydroxy-3-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)-N-methylprop-2-enamide
- IUPAC
- 3-(4-hydroxy-3-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)-N-methylprop-2-enamide
- English name
- 3-(5,11a-Dihydro-9-hydroxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepine-2-yl)-N-methylpropenamide
- Molecular formula
- C17H17N3O3
- Molecular weight
- 311.34
Names & synonyms
68373-93-3Anhydromazethramycin3-(5,11a-Dihydro-9-hydroxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepine-2-yl)-N-methylpropenamide2-Propenamide, 3-(5,11a-dihydro-9-hydroxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)-N-methyl- (9CI)
Database identifiers
- CAS
68373-93-3- PubChem CID
- 71439787
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 596
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…