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

C8H12N2O — CID 115825255

IUPAC2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile
SMILESCCC1CC(=O)N(CC#N)C1
InChIInChI=1S/C8H12N2O/c1-2-7-5-8(11)10(6-7)4-3-9/h7H,2,4-6H2,1H3
InChIKeyPAMRCSAWPXYERX-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.77
Rot. Bonds2

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

2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile (PubChem CID 115825255) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile
PubChem CID115825255
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile
SMILESCCC1CC(=O)N(CC#N)C1
InChIInChI=1S/C8H12N2O/c1-2-7-5-8(11)10(6-7)4-3-9/h7H,2,4-6H2,1H3
InChIKeyPAMRCSAWPXYERX-UHFFFAOYSA-N
XLogP0.77
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile
CID 115825252
1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one
CID 130530923
1-(2-cyclopentyl-2-hydroxyethyl)-4-ethylpyrrolidin-2-one
CID 104753333
4-ethyl-1-phosphanylpyrrolidin-2-one
CID 123863905
[(3R)-1-(cyanomethyl)-5-oxopyrrolidin-3-yl] acetate
CID 86316975
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]propanenitrile
CID 168508201
[1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672770
2-[(4-ethyl-2-oxopyrrolidin-1-yl)methyl]benzoic acid
CID 10106013
2-[4-(4-ethylsulfanylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980185
5-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]-1H-imidazole-2-carbonitrile
CID 71113075
4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one
CID 80609094
1-[(3-amino-4-bromophenyl)methyl]-4-ethylpyrrolidin-2-one
CID 115557404

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile?
The IUPAC name of 2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile (CID 115825255) is 2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile is CCC1CC(=O)N(CC#N)C1.
What is the InChIKey of 2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile?
The InChIKey is PAMRCSAWPXYERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-7-5-8(11)10(6-7)4-3-9/h7H,2,4-6H2,1H3.
What are the key properties of 2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile?
2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile has a molecular weight of 152.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile is sourced from PubChem (CID 115825255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).