5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one

C9H9F2NO — CID 145414212

IUPAC5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one
SMILESC=CC1=C(C(=C)C)C(F)(F)C(=O)N1
InChIInChI=1S/C9H9F2NO/c1-4-6-7(5(2)3)9(10,11)8(13)12-6/h4H,1-2H2,3H3,(H,12,13)
InChIKeyUQPQKEJKZOAPSK-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.77
Rot. Bonds2

About 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one

5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one (PubChem CID 145414212) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one.

Molecular Properties

Compound Name5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one
PubChem CID145414212
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one
SMILESC=CC1=C(C(=C)C)C(F)(F)C(=O)N1
InChIInChI=1S/C9H9F2NO/c1-4-6-7(5(2)3)9(10,11)8(13)12-6/h4H,1-2H2,3H3,(H,12,13)
InChIKeyUQPQKEJKZOAPSK-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one 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

3-Dihydro-indolin-2-one
CID 53966564
6-fluoro-3,4,7,8-tetrahydro-1H-quinolin-2-one
CID 69557988
N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide
CID 88688295
4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide
CID 89214940
3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]butanamide
CID 123172088
N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126663639
N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide
CID 143601144
4-[(E)-2-fluoroethenyl]-5-[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920331
5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1,3-dihydropyrrol-2-one
CID 143920333
5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-1H-pyridin-2-one
CID 144467146
Ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one
CID 145414209
ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one
CID 145414211

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one?
The IUPAC name of 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one (CID 145414212) is 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one.
What is the SMILES notation for 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one?
The canonical SMILES for 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one is C=CC1=C(C(=C)C)C(F)(F)C(=O)N1.
What is the InChIKey of 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one?
The InChIKey is UQPQKEJKZOAPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-4-6-7(5(2)3)9(10,11)8(13)12-6/h4H,1-2H2,3H3,(H,12,13).
What are the key properties of 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one?
5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one has a molecular weight of 185.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one is sourced from PubChem (CID 145414212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).