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

C13H18F3NO — CID 168685129

IUPAC4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H18F3NO/c1-2-9-7-12(18)17(8-9)11-5-3-10(4-6-11)13(14,15)16/h2,9-11H,1,3-8H2
InChIKeyFQSSMADDWRUCHP-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.14
Rot. Bonds2

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

4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one (PubChem CID 168685129) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
PubChem CID168685129
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H18F3NO/c1-2-9-7-12(18)17(8-9)11-5-3-10(4-6-11)13(14,15)16/h2,9-11H,1,3-8H2
InChIKeyFQSSMADDWRUCHP-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.14
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

1-(1,1-dioxothian-4-yl)-4-ethenylpyrrolidin-2-one
CID 168685133
4-chloro-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168688457
4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168700059
4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168660113
5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 168691287
4-ethenyl-1-(oxetan-3-yl)pyrrolidin-2-one
CID 168685168
tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)azetidine-1-carboxylate
CID 168683864
1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one
CID 168683470
4-ethenyl-1-[1-(3-methoxypropyl)piperidin-4-yl]pyrrolidin-2-one
CID 168684416
tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683488
4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
CID 168686316
1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one
CID 168683832

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one (CID 168685129) is 4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one is C=CC1CC(=O)N(C2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The InChIKey is FQSSMADDWRUCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-2-9-7-12(18)17(8-9)11-5-3-10(4-6-11)13(14,15)16/h2,9-11H,1,3-8H2.
What are the key properties of 4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one has a molecular weight of 261.29 g/mol, XLogP of 3.14, 2 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]pyrrolidin-2-one is sourced from PubChem (CID 168685129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).