1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one

C10H14F3NO — CID 166916743

IUPAC1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one
SMILESC=C1CC(C(F)C(C)(F)F)C(=O)N1CC
InChIInChI=1S/C10H14F3NO/c1-4-14-6(2)5-7(9(14)15)8(11)10(3,12)13/h7-8H,2,4-5H2,1,3H3
InChIKeyKEZYRJBYSYSEEN-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.36
Rot. Bonds3

About 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one

1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one (PubChem CID 166916743) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one
PubChem CID166916743
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one
SMILESC=C1CC(C(F)C(C)(F)F)C(=O)N1CC
InChIInChI=1S/C10H14F3NO/c1-4-14-6(2)5-7(9(14)15)8(11)10(3,12)13/h7-8H,2,4-5H2,1,3H3
InChIKeyKEZYRJBYSYSEEN-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-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

1-[(E)-3-(trifluoromethyl)hept-1-enyl]pyrrolidin-2-one
CID 138966674
6-(3-Methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride
CID 145099496
2-(2-Amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
CID 142070789
3-Tert-butyl-3-methyl-5-methylidene-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 159689835
3-Methyl-1-[3-methyl-3-(trifluoromethyl)cyclohexen-1-yl]pyrrolidin-2-one
CID 162561841
1,3-Diethyl-5-methylidenepyrrolidin-2-one
CID 58975945
1,4-Diethyl-5-methylidenepyrrolidin-2-one
CID 59801864
5-Methylidene-1,3-di(propan-2-yl)pyrrolidin-2-one
CID 117860930
1-Methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 118857753
3,4-Ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one
CID 130413118
5-(Dimethylamino)-2-ethyl-4-methyl-1-pyrrolidin-1-ylhex-5-en-1-one
CID 132100522
1-Methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 135296431

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one?
The IUPAC name of 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one (CID 166916743) is 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one is C=C1CC(C(F)C(C)(F)F)C(=O)N1CC.
What is the InChIKey of 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one?
The InChIKey is KEZYRJBYSYSEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-4-14-6(2)5-7(9(14)15)8(11)10(3,12)13/h7-8H,2,4-5H2,1,3H3.
What are the key properties of 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one?
1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one has a molecular weight of 221.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one is sourced from PubChem (CID 166916743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).