6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile

C13H12N2 — CID 10442668

IUPAC6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
SMILESN#Cc1c2n(c3ccccc13)CCCC2
InChIInChI=1S/C13H12N2/c14-9-11-10-5-1-2-6-12(10)15-8-4-3-7-13(11)15/h1-2,5-6H,3-4,7-8H2
InChIKeyHUWRPEWZWOKPBK-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.85
Rot. Bonds

About 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile

6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile (PubChem CID 10442668) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
PubChem CID10442668
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
SMILESN#Cc1c2n(c3ccccc13)CCCC2
InChIInChI=1S/C13H12N2/c14-9-11-10-5-1-2-6-12(10)15-8-4-3-7-13(11)15/h1-2,5-6H,3-4,7-8H2
InChIKeyHUWRPEWZWOKPBK-UHFFFAOYSA-N
XLogP2.85
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile 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

10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 58315233
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
CID 19599427
10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 145177333
4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one
CID 53359870
11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one
CID 24977612
4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 134444762
9-(benzenesulfonyl)-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
CID 11131503
1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile
CID 58838838
methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate
CID 11470807
2-bromo-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 21255187
6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile
CID 15500623
4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 11074354

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile?
The IUPAC name of 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile (CID 10442668) is 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile.
What is the SMILES notation for 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile?
The canonical SMILES for 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile is N#Cc1c2n(c3ccccc13)CCCC2.
What is the InChIKey of 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile?
The InChIKey is HUWRPEWZWOKPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c14-9-11-10-5-1-2-6-12(10)15-8-4-3-7-13(11)15/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile?
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile has a molecular weight of 196.25 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile is sourced from PubChem (CID 10442668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).