2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile

C13H20N2O — CID 79543481

IUPAC2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H20N2O/c1-2-10(9-14)15-8-4-6-12(15)11-5-3-7-13(11)16/h10-12H,2-8H2,1H3
InChIKeyFUFMSDQWOHZSCP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.12
Rot. Bonds3

About 2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile

2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile (PubChem CID 79543481) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile
PubChem CID79543481
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H20N2O/c1-2-10(9-14)15-8-4-6-12(15)11-5-3-7-13(11)16/h10-12H,2-8H2,1H3
InChIKeyFUFMSDQWOHZSCP-UHFFFAOYSA-N
XLogP2.12
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile?
The IUPAC name of 2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile (CID 79543481) is 2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile.
What is the SMILES notation for 2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile?
The canonical SMILES for 2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile is CCC(C#N)N1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile?
The InChIKey is FUFMSDQWOHZSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-10(9-14)15-8-4-6-12(15)11-5-3-7-13(11)16/h10-12H,2-8H2,1H3.
What are the key properties of 2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile?
2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile has a molecular weight of 220.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]butanenitrile is sourced from PubChem (CID 79543481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).