2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride

C11H13ClN2 — CID 11572011

IUPAC2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCl.c1ccc2c3c([nH]c2c1)CCNC3
InChIInChI=1S/C11H12N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-4,12-13H,5-7H2;1H
InChIKeyVNAOGYKTNRGMRR-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.24
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride

2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 11572011) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID11572011
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCl.c1ccc2c3c([nH]c2c1)CCNC3
InChIInChI=1S/C11H12N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-4,12-13H,5-7H2;1H
InChIKeyVNAOGYKTNRGMRR-UHFFFAOYSA-N
XLogP2.24
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride 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 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 11572011) is 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride is Cl.c1ccc2c3c([nH]c2c1)CCNC3.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is VNAOGYKTNRGMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-4,12-13H,5-7H2;1H.
What are the key properties of 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 11572011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).