2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one

C11H12F3NO — CID 150090795

IUPAC2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one
SMILESCCCC=CC1N=C(C(F)(F)F)C=CC1=O
InChIInChI=1S/C11H12F3NO/c1-2-3-4-5-8-9(16)6-7-10(15-8)11(12,13)14/h4-8H,2-3H2,1H3
InChIKeyDTEKOQOBIMYIJF-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.85
Rot. Bonds3

About 2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one

2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one (PubChem CID 150090795) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one.

Molecular Properties

Compound Name2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one
PubChem CID150090795
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one
SMILESCCCC=CC1N=C(C(F)(F)F)C=CC1=O
InChIInChI=1S/C11H12F3NO/c1-2-3-4-5-8-9(16)6-7-10(15-8)11(12,13)14/h4-8H,2-3H2,1H3
InChIKeyDTEKOQOBIMYIJF-UHFFFAOYSA-N
XLogP2.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one?
The IUPAC name of 2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one (CID 150090795) is 2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one.
What is the SMILES notation for 2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one?
The canonical SMILES for 2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one is CCCC=CC1N=C(C(F)(F)F)C=CC1=O.
What is the InChIKey of 2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one?
The InChIKey is DTEKOQOBIMYIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-2-3-4-5-8-9(16)6-7-10(15-8)11(12,13)14/h4-8H,2-3H2,1H3.
What are the key properties of 2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one?
2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one has a molecular weight of 231.22 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one is sourced from PubChem (CID 150090795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).