4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one

C14H20F3NO — CID 168685169

IUPAC4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H20F3NO/c1-2-10-7-13(19)18(8-10)9-11-3-5-12(6-4-11)14(15,16)17/h2,10-12H,1,3-9H2
InChIKeyYVEUPRKTRCEWKP-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.39
Rot. Bonds3

About 4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one

4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one (PubChem CID 168685169) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one
PubChem CID168685169
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H20F3NO/c1-2-10-7-13(19)18(8-10)9-11-3-5-12(6-4-11)14(15,16)17/h2,10-12H,1,3-9H2
InChIKeyYVEUPRKTRCEWKP-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[(4-ethenylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 144531456
Cyclohex-3-en-1-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 71914980
[(1R)-cyclohex-3-en-1-yl]-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 97098119
[(1R)-cyclohex-3-en-1-yl]-[(2S)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 97098120
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 97098121
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 97098122
4-Ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168685129
1-(2-Cyclohexylethenyl)pyrrolidin-2-one
CID 67565669
cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone
CID 67600688
1-(4-Ethenylcyclohexyl)pyrrolidin-2-one
CID 142812052
1-[(4-Ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 156647080
4-Ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one
CID 168683440

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one (CID 168685169) is 4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one is C=CC1CC(=O)N(CC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one?
The InChIKey is YVEUPRKTRCEWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-2-10-7-13(19)18(8-10)9-11-3-5-12(6-4-11)14(15,16)17/h2,10-12H,1,3-9H2.
What are the key properties of 4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one?
4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one has a molecular weight of 275.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 168685169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).