3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile

C9H14N2O — CID 115825252

IUPAC3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile
SMILESCCC1CC(=O)N(CCC#N)C1
InChIInChI=1S/C9H14N2O/c1-2-8-6-9(12)11(7-8)5-3-4-10/h8H,2-3,5-7H2,1H3
InChIKeyMUPNIXKTNUIYOI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.16
Rot. Bonds3

About 3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile

3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile (PubChem CID 115825252) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile
PubChem CID115825252
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile
SMILESCCC1CC(=O)N(CCC#N)C1
InChIInChI=1S/C9H14N2O/c1-2-8-6-9(12)11(7-8)5-3-4-10/h8H,2-3,5-7H2,1H3
InChIKeyMUPNIXKTNUIYOI-UHFFFAOYSA-N
XLogP1.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]propanenitrile
CID 168508201
2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile
CID 115825255
1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one
CID 130530923
[1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672770
4-ethyl-1-phosphanylpyrrolidin-2-one
CID 123863905
3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile
CID 116980234
1-(2-cyclopentyl-2-hydroxyethyl)-4-ethylpyrrolidin-2-one
CID 104753333
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672882
[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680855

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile?
The IUPAC name of 3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile (CID 115825252) is 3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile?
The canonical SMILES for 3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile is CCC1CC(=O)N(CCC#N)C1.
What is the InChIKey of 3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile?
The InChIKey is MUPNIXKTNUIYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-8-6-9(12)11(7-8)5-3-4-10/h8H,2-3,5-7H2,1H3.
What are the key properties of 3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile?
3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile has a molecular weight of 166.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile is sourced from PubChem (CID 115825252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).