2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide

C15H17F3N2O2 — CID 71921068

IUPAC2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide
SMILESO=C(CC1=CCCCC1)Nc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)10-20-8-4-7-12(14(20)22)19-13(21)9-11-5-2-1-3-6-11/h4-5,7-8H,1-3,6,9-10H2,(H,19,21)
InChIKeyJUXPEAAVUQCRCQ-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.24
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide

2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide (PubChem CID 71921068) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide
PubChem CID71921068
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide
SMILESO=C(CC1=CCCCC1)Nc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)10-20-8-4-7-12(14(20)22)19-13(21)9-11-5-2-1-3-6-11/h4-5,7-8H,1-3,6,9-10H2,(H,19,21)
InChIKeyJUXPEAAVUQCRCQ-UHFFFAOYSA-N
XLogP3.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide (CID 71921068) is 2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide is O=C(CC1=CCCCC1)Nc1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide?
The InChIKey is JUXPEAAVUQCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)10-20-8-4-7-12(14(20)22)19-13(21)9-11-5-2-1-3-6-11/h4-5,7-8H,1-3,6,9-10H2,(H,19,21).
What are the key properties of 2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide?
2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide has a molecular weight of 314.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 71921068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).