2-cyclopentylbutanenitrile

C9H15N — CID 83681760

IUPAC2-cyclopentylbutanenitrile
SMILESCCC(C#N)C1CCCC1
InChIInChI=1S/C9H15N/c1-2-8(7-10)9-5-3-4-6-9/h8-9H,2-6H2,1H3
InChIKeyANOUWBLDRCLRRG-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.73
Rot. Bonds2

About 2-cyclopentylbutanenitrile

2-cyclopentylbutanenitrile (PubChem CID 83681760) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-cyclopentylbutanenitrile.

Molecular Properties

Compound Name2-cyclopentylbutanenitrile
PubChem CID83681760
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-cyclopentylbutanenitrile
SMILESCCC(C#N)C1CCCC1
InChIInChI=1S/C9H15N/c1-2-8(7-10)9-5-3-4-6-9/h8-9H,2-6H2,1H3
InChIKeyANOUWBLDRCLRRG-UHFFFAOYSA-N
XLogP2.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylbutanenitrile?
The IUPAC name of 2-cyclopentylbutanenitrile (CID 83681760) is 2-cyclopentylbutanenitrile.
What is the SMILES notation for 2-cyclopentylbutanenitrile?
The canonical SMILES for 2-cyclopentylbutanenitrile is CCC(C#N)C1CCCC1.
What is the InChIKey of 2-cyclopentylbutanenitrile?
The InChIKey is ANOUWBLDRCLRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-8(7-10)9-5-3-4-6-9/h8-9H,2-6H2,1H3.
What are the key properties of 2-cyclopentylbutanenitrile?
2-cyclopentylbutanenitrile has a molecular weight of 137.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylbutanenitrile is sourced from PubChem (CID 83681760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).