3-Cyclopentylpentanenitrile;ethane

Name: 3-Cyclopentylpentanenitrile;ethane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₃N — CID 155599188

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-cyclopentylpentanenitrile;ethane

SMILESCC.CCC(CC#N)C1CCCC1

InChIInChI=1S/C10H17N.C2H6/c1-2-9(7-8-11)10-5-3-4-6-10;1-2/h9-10H,2-7H2,1H3;1-2H3

InChIKeyCZGRUONBQYSNSK-UHFFFAOYSA-N

MW181.32 g/mol

LogP4.14

Rot. Bonds3

About 3-Cyclopentylpentanenitrile;ethane

3-Cyclopentylpentanenitrile;ethane (PubChem CID 155599188) has the molecular formula C₁₂H₂₃N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-cyclopentylpentanenitrile;ethane.

Molecular Properties

Compound Name	3-Cyclopentylpentanenitrile;ethane
PubChem CID	155599188
Molecular Formula	C₁₂H₂₃N
Molecular Weight	181.32 g/mol
Exact Mass	181.18
IUPAC Name	3-cyclopentylpentanenitrile;ethane
SMILES	CC.CCC(CC#N)C1CCCC1
InChI	InChI=1S/C10H17N.C2H6/c1-2-9(7-8-11)10-5-3-4-6-10;1-2/h9-10H,2-7H2,1H3;1-2H3
InChIKey	CZGRUONBQYSNSK-UHFFFAOYSA-N
XLogP	4.14
TPSA	23.79 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.32
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-Cyclopentylpentanenitrile;ethane?

The IUPAC name of 3-Cyclopentylpentanenitrile;ethane (CID 155599188) is 3-cyclopentylpentanenitrile;ethane.

What is the SMILES notation for 3-Cyclopentylpentanenitrile;ethane?

The canonical SMILES for 3-Cyclopentylpentanenitrile;ethane is CC.CCC(CC#N)C1CCCC1.

What is the InChIKey of 3-Cyclopentylpentanenitrile;ethane?

The InChIKey is CZGRUONBQYSNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-2-9(7-8-11)10-5-3-4-6-10;1-2/h9-10H,2-7H2,1H3;1-2H3.

What are the key properties of 3-Cyclopentylpentanenitrile;ethane?

3-Cyclopentylpentanenitrile;ethane has a molecular weight of 181.32 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Cyclopentylpentanenitrile;ethane is sourced from PubChem (CID 155599188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155599188 — identifiers, structure, computed properties (public domain)

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