2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile

C11H18N2O — CID 58625747

IUPAC2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile
SMILESCCC(C#N)CC(C)N1CCCC1=O
InChIInChI=1S/C11H18N2O/c1-3-10(8-12)7-9(2)13-6-4-5-11(13)14/h9-10H,3-7H2,1-2H3
InChIKeyTZBCTBOUKDJGLM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.94
Rot. Bonds4

About 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile

2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile (PubChem CID 58625747) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile
PubChem CID58625747
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile
SMILESCCC(C#N)CC(C)N1CCCC1=O
InChIInChI=1S/C11H18N2O/c1-3-10(8-12)7-9(2)13-6-4-5-11(13)14/h9-10H,3-7H2,1-2H3
InChIKeyTZBCTBOUKDJGLM-UHFFFAOYSA-N
XLogP1.94
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile?
The IUPAC name of 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile (CID 58625747) is 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile?
The canonical SMILES for 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile is CCC(C#N)CC(C)N1CCCC1=O.
What is the InChIKey of 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile?
The InChIKey is TZBCTBOUKDJGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-10(8-12)7-9(2)13-6-4-5-11(13)14/h9-10H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile?
2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile has a molecular weight of 194.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanenitrile is sourced from PubChem (CID 58625747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).