Basic information
- CAS
57435-88-8- Standard SMILES
CCc1c2c(c(C)n1C)C(c1ccccc1)=NCC(=O)N2- InChIKey
QUIPVRAMGQYMNN-UHFFFAOYSA-N- Molecular formula
- C17H19N3O
- Average molar mass
- 281.35 g/mol
- Monoisotopic mass
- 281.15281224
Names & identifiers
- Preferred name
- 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one
- IUPAC
- 8-ethyl-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one
- English name
- 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo[3,4-e]-1,4-diazepin-2(1H)-one
- Molecular formula
- C17H19N3O
- Molecular weight
- 281.35
Names & synonyms
57435-88-89J9YLB6XNLPyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-6,7-dimethyl-8-ethyl-5-phenyl-NSC 290941BRN 0619292UNII-9J9YLB6XNLNSC-290941DTXSID802060283,7-Dihydro-6,7-dimethyl-8-ethyl-5-phenylpyrrolo(3,4-e)(1,4)diazepin-2(1H)-one8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo[3,4-e]-1,4-diazepin-2(1H)-onePYRROLO(3,4-E)-1,4-DIAZEPIN-2(1H)-ONE, 8-ETHYL-3,7-DIHYDRO-6,7-DIMETHYL-5-PHENYL-
Show more names
8-ethyl-6,7-dimethyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-onePyrrolo[3,4-e]-1,4-diazepin-2(1H)-one, 8-ethyl-3,7-dihydro-6,7-dimethyl-5-phenyl-
RefChem:199243DTXCID80128519NSC2909418-Ethyl-6,7-dimethyl-5-phenyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one8-ethyl-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-oneDB-318440{Pyrrolo[3,4-e]-1,4-diazepin-2(1H)-one,} 8-ethyl-3,7-dihydro-6, 7-dimethyl-5-phenyl-{Pyrrolo[3,4-e][1,4]diazepin-2(1H)-one,} 3,7-dihydro-6,7-dimethyl-8-ethyl-5-phenyl-
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- FDA UNII
- 9 J9YLB6XNL · 9J9YLB6XNL
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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