2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile

C10H16N2O — CID 68841358

IUPAC2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile
SMILESCCC(C#N)N1C(=O)CCC1CC
InChIInChI=1S/C10H16N2O/c1-3-8-5-6-10(13)12(8)9(4-2)7-11/h8-9H,3-6H2,1-2H3
InChIKeyTXRATBPRRZEAGY-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.69
Rot. Bonds3

About 2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile

2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile (PubChem CID 68841358) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile
PubChem CID68841358
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile
SMILESCCC(C#N)N1C(=O)CCC1CC
InChIInChI=1S/C10H16N2O/c1-3-8-5-6-10(13)12(8)9(4-2)7-11/h8-9H,3-6H2,1-2H3
InChIKeyTXRATBPRRZEAGY-UHFFFAOYSA-N
XLogP1.69
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile?
The IUPAC name of 2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile (CID 68841358) is 2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile?
The canonical SMILES for 2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile is CCC(C#N)N1C(=O)CCC1CC.
What is the InChIKey of 2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile?
The InChIKey is TXRATBPRRZEAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-8-5-6-10(13)12(8)9(4-2)7-11/h8-9H,3-6H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile?
2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile has a molecular weight of 180.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile is sourced from PubChem (CID 68841358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).