1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile

C9H14N2 — CID 22931215

IUPAC1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile
SMILESN#CC1CCN2CCCC2C1
InChIInChI=1S/C9H14N2/c10-7-8-3-5-11-4-1-2-9(11)6-8/h8-9H,1-6H2
InChIKeyFMJFHKPQFBKCKZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.38
Rot. Bonds

About 1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile

1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile (PubChem CID 22931215) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile
PubChem CID22931215
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile
SMILESN#CC1CCN2CCCC2C1
InChIInChI=1S/C9H14N2/c10-7-8-3-5-11-4-1-2-9(11)6-8/h8-9H,1-6H2
InChIKeyFMJFHKPQFBKCKZ-UHFFFAOYSA-N
XLogP1.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,5,6,7,8,8a-octahydroindolizine-7-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 1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile (CID 22931215) is 1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile is N#CC1CCN2CCCC2C1.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile?
The InChIKey is FMJFHKPQFBKCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-7-8-3-5-11-4-1-2-9(11)6-8/h8-9H,1-6H2.
What are the key properties of 1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile?
1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8,8a-octahydroindolizine-7-carbonitrile is sourced from PubChem (CID 22931215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).