ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate

HCID 304520

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 54874-75-8
Standard SMILES: CCOC(=O)c1c(C)c2c(n1C)CCC(CCC(C)=O)C2=O
InChIKey: RBGUDMVCIRGHEJ-UHFFFAOYSA-N
Molecular formula: C17H23NO4
Average molar mass: 305.4 g/mol
Monoisotopic mass: 305.16270821

Names & identifiers

Preferred name: ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate
IUPAC: ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate

Names & synonyms

ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate54874-75-8NSC196850DTXSID40307929NSC-196850DS-010947ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Database identifiers

CAS: 54874-75-8
PubChem CID: 304520
DTXSID: DTXSID40307929

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 65.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 462

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…