1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one

C13H12F3NO2 — CID 70875978

IUPAC1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one
SMILESO=C1CCC(C(=O)C(F)(F)F)=CN1C1=CCCC=C1
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)12(19)9-6-7-11(18)17(8-9)10-4-2-1-3-5-10/h2,4-5,8H,1,3,6-7H2
InChIKeyXVMNSVRDSZTAJU-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.86
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one

1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one (PubChem CID 70875978) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one
PubChem CID70875978
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one
SMILESO=C1CCC(C(=O)C(F)(F)F)=CN1C1=CCCC=C1
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)12(19)9-6-7-11(18)17(8-9)10-4-2-1-3-5-10/h2,4-5,8H,1,3,6-7H2
InChIKeyXVMNSVRDSZTAJU-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one (CID 70875978) is 1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one is O=C1CCC(C(=O)C(F)(F)F)=CN1C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one?
The InChIKey is XVMNSVRDSZTAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c14-13(15,16)12(19)9-6-7-11(18)17(8-9)10-4-2-1-3-5-10/h2,4-5,8H,1,3,6-7H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one?
1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one has a molecular weight of 271.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 70875978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).