2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile

C10H16N2 — CID 12519342

IUPAC2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile
SMILESN#CC1CCC2CCCCN2C1
InChIInChI=1S/C10H16N2/c11-7-9-4-5-10-3-1-2-6-12(10)8-9/h9-10H,1-6,8H2
InChIKeyBQSDHIMENRTWTN-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.77
Rot. Bonds

About 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile (PubChem CID 12519342) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile
PubChem CID12519342
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile
SMILESN#CC1CCC2CCCCN2C1
InChIInChI=1S/C10H16N2/c11-7-9-4-5-10-3-1-2-6-12(10)8-9/h9-10H,1-6,8H2
InChIKeyBQSDHIMENRTWTN-UHFFFAOYSA-N
XLogP1.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile 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 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile (CID 12519342) is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile is N#CC1CCC2CCCCN2C1.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile?
The InChIKey is BQSDHIMENRTWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-7-9-4-5-10-3-1-2-6-12(10)8-9/h9-10H,1-6,8H2.
What are the key properties of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile?
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile is sourced from PubChem (CID 12519342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).