9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

C12H14N2 — CID 10997754

IUPAC9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCn1c2c(c3ccccc31)CCNC2
InChIInChI=1S/C12H14N2/c1-14-11-5-3-2-4-9(11)10-6-7-13-8-12(10)14/h2-5,13H,6-8H2,1H3
InChIKeySTMNLEHELVDDKF-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.82
Rot. Bonds

About 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 10997754) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID10997754
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCn1c2c(c3ccccc31)CCNC2
InChIInChI=1S/C12H14N2/c1-14-11-5-3-2-4-9(11)10-6-7-13-8-12(10)14/h2-5,13H,6-8H2,1H3
InChIKeySTMNLEHELVDDKF-UHFFFAOYSA-N
XLogP1.82
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-methyl-1,2,3,4-tetrahydropyrido[3,4-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

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 10997754) is 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is Cn1c2c(c3ccccc31)CCNC2.
What is the InChIKey of 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is STMNLEHELVDDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-14-11-5-3-2-4-9(11)10-6-7-13-8-12(10)14/h2-5,13H,6-8H2,1H3.
What are the key properties of 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 186.26 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 10997754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).