3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile

C10H16N2 — CID 67943587

IUPAC3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile
SMILESCC1CCC2(C#N)CCC(C)N12
InChIInChI=1S/C10H16N2/c1-8-3-5-10(7-11)6-4-9(2)12(8)10/h8-9H,3-6H2,1-2H3
InChIKeyJGGGCJCJGSRCJK-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.92
Rot. Bonds

About 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile

3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile (PubChem CID 67943587) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile.

Molecular Properties

Compound Name3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile
PubChem CID67943587
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile
SMILESCC1CCC2(C#N)CCC(C)N12
InChIInChI=1S/C10H16N2/c1-8-3-5-10(7-11)6-4-9(2)12(8)10/h8-9H,3-6H2,1-2H3
InChIKeyJGGGCJCJGSRCJK-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-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 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile?
The IUPAC name of 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile (CID 67943587) is 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile.
What is the SMILES notation for 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile?
The canonical SMILES for 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile is CC1CCC2(C#N)CCC(C)N12.
What is the InChIKey of 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile?
The InChIKey is JGGGCJCJGSRCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-3-5-10(7-11)6-4-9(2)12(8)10/h8-9H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile?
3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile is sourced from PubChem (CID 67943587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).