9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol

C13H16N2O — CID 123286102

IUPAC9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol
SMILESCc1ccc2[nH]c3c(c2c1O)CNCCC3
InChIInChI=1S/C13H16N2O/c1-8-4-5-11-12(13(8)16)9-7-14-6-2-3-10(9)15-11/h4-5,14-16H,2-3,6-7H2,1H3
InChIKeyQJXZWWBQZWFERY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.22
Rot. Bonds

About 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol

9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol (PubChem CID 123286102) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol.

Molecular Properties

Compound Name9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol
PubChem CID123286102
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol
SMILESCc1ccc2[nH]c3c(c2c1O)CNCCC3
InChIInChI=1S/C13H16N2O/c1-8-4-5-11-12(13(8)16)9-7-14-6-2-3-10(9)15-11/h4-5,14-16H,2-3,6-7H2,1H3
InChIKeyQJXZWWBQZWFERY-UHFFFAOYSA-N
XLogP2.22
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol?
The IUPAC name of 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol (CID 123286102) is 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol.
What is the SMILES notation for 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol?
The canonical SMILES for 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol is Cc1ccc2[nH]c3c(c2c1O)CNCCC3.
What is the InChIKey of 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol?
The InChIKey is QJXZWWBQZWFERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-4-5-11-12(13(8)16)9-7-14-6-2-3-10(9)15-11/h4-5,14-16H,2-3,6-7H2,1H3.
What are the key properties of 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol?
9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol has a molecular weight of 216.28 g/mol, XLogP of 2.22, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-10-ol is sourced from PubChem (CID 123286102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).