1-methylpyrrolidin-2-one;prop-2-enenitrile

C8H12N2O — CID 175577186

IUPAC1-methylpyrrolidin-2-one;prop-2-enenitrile
SMILESC=CC#N.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C3H3N/c1-6-4-2-3-5(6)7;1-2-3-4/h2-4H2,1H3;2H,1H2
InChIKeyGNSSZRXNOCRSMB-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.93
Rot. Bonds

About 1-methylpyrrolidin-2-one;prop-2-enenitrile

1-methylpyrrolidin-2-one;prop-2-enenitrile (PubChem CID 175577186) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;prop-2-enenitrile.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;prop-2-enenitrile
PubChem CID175577186
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-methylpyrrolidin-2-one;prop-2-enenitrile
SMILESC=CC#N.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C3H3N/c1-6-4-2-3-5(6)7;1-2-3-4/h2-4H2,1H3;2H,1H2
InChIKeyGNSSZRXNOCRSMB-UHFFFAOYSA-N
XLogP0.93
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methylpyrrolidin-2-one;prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-
CID 6285032
1-Ethenylpyrrolidin-2-one;prop-2-enenitrile
CID 20525303
(2Z)-3-(dimethylamino)-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile
CID 16411851
3-(Dimethylamino)-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile
CID 5151094
1-Buta-1,2-dienylpyrrolidin-2-one
CID 12173742
1-Methylpyrrolidin-2-one;prop-1-ene
CID 18313718
1-But-2-enylpyrrolidin-2-one
CID 57020232
Acetonitrile;1-ethenylpyrrolidin-2-one
CID 70006635
3-(2-Oxopyrrolidin-1-yl)prop-2-enenitrile
CID 74377397
1-Ethenylpyrrolidin-2-one;isocyanatoethene;prop-2-enenitrile
CID 88745339
Ethene;1-ethylpyrrolidin-2-one
CID 143002656
Buta-1,3-diene;1-methylpyrrolidin-2-one
CID 155676528

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;prop-2-enenitrile?
The IUPAC name of 1-methylpyrrolidin-2-one;prop-2-enenitrile (CID 175577186) is 1-methylpyrrolidin-2-one;prop-2-enenitrile.
What is the SMILES notation for 1-methylpyrrolidin-2-one;prop-2-enenitrile?
The canonical SMILES for 1-methylpyrrolidin-2-one;prop-2-enenitrile is C=CC#N.CN1CCCC1=O.
What is the InChIKey of 1-methylpyrrolidin-2-one;prop-2-enenitrile?
The InChIKey is GNSSZRXNOCRSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H3N/c1-6-4-2-3-5(6)7;1-2-3-4/h2-4H2,1H3;2H,1H2.
What are the key properties of 1-methylpyrrolidin-2-one;prop-2-enenitrile?
1-methylpyrrolidin-2-one;prop-2-enenitrile has a molecular weight of 152.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;prop-2-enenitrile is sourced from PubChem (CID 175577186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).