3-Methyl-1,2,4,5-tetrahydrobenzo[e]indole

HCID 23330816

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CN1CCC2=C1CCc1ccccc12
InChIKey: HCSQOTJDWFDPFG-UHFFFAOYSA-N
Molecular formula: C13H15N
Average molar mass: 185.26 g/mol

Names & identifiers

Preferred name: 3-Methyl-1,2,4,5-tetrahydrobenzo[e]indole
IUPAC: 3-methyl-1,2,4,5-tetrahydrobenzo[e]indole

Names & synonyms

SCHEMBL11451110HCSQOTJDWFDPFG-UHFFFAOYSA-N3-methyl-1,2,4,5-tetrahydrobenzo[e]indole3-methyl-1,2,4,5-tetrahydro-3H-benz[e]indole3-methyl-2,3,4,5-tetrahydro-1H-benzo[e]indole

Database identifiers

PubChem CID: 23330816

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 266

Related reactions

2 records

New reaction record

HRID 26398As reactantuspto-grants-1979_04

HRID 224968As reactantuspto-grants-1980_11

Compound notes

Loading…