(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole

C13H18N2 — CID 71128959

IUPAC(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
SMILESCc1ccc2c(c1)[C@@H]1CNCCCC1N2
InChIInChI=1S/C13H18N2/c1-9-4-5-13-10(7-9)11-8-14-6-2-3-12(11)15-13/h4-5,7,11-12,14-15H,2-3,6,8H2,1H3/t11-,12?/m0/s1
InChIKeyKSWQOIMPWVMAOV-PXYINDEMSA-N
MW202.30 g/mol
LogP2.26
Rot. Bonds

About (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole

(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole (PubChem CID 71128959) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole.

Molecular Properties

Compound Name(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
PubChem CID71128959
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
SMILESCc1ccc2c(c1)[C@@H]1CNCCCC1N2
InChIInChI=1S/C13H18N2/c1-9-4-5-13-10(7-9)11-8-14-6-2-3-12(11)15-13/h4-5,7,11-12,14-15H,2-3,6,8H2,1H3/t11-,12?/m0/s1
InChIKeyKSWQOIMPWVMAOV-PXYINDEMSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84654717
(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 7007370
9-fluoro-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
CID 77401167
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
(4aR,9bR)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 11805243
3-(2,5-dimethylphenyl)-4-methylpiperidine
CID 66273596
3-(2,4-dimethylphenyl)piperidine
CID 10535662
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
(9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indol-2-yl)-phenylmethanone
CID 76689500
tert-butyl (5aR,10bS)-9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indole-2-carboxylate
CID 140575490
6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine
CID 163872656
methyl 8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
CID 82372244

Frequently Asked Questions

What is the IUPAC name of (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole?
The IUPAC name of (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole (CID 71128959) is (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole.
What is the SMILES notation for (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole?
The canonical SMILES for (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole is Cc1ccc2c(c1)[C@@H]1CNCCCC1N2.
What is the InChIKey of (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole?
The InChIKey is KSWQOIMPWVMAOV-PXYINDEMSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-4-5-13-10(7-9)11-8-14-6-2-3-12(11)15-13/h4-5,7,11-12,14-15H,2-3,6,8H2,1H3/t11-,12?/m0/s1.
What are the key properties of (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole?
(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole has a molecular weight of 202.30 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole is sourced from PubChem (CID 71128959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).