5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one

C11H16FNO — CID 91581678

IUPAC5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one
SMILESCCC(C)C(C)=C1NC(=O)CC=C1F
InChIInChI=1S/C11H16FNO/c1-4-7(2)8(3)11-9(12)5-6-10(14)13-11/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyWTWUIABINZRDOL-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.68
Rot. Bonds2

About 5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one

5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one (PubChem CID 91581678) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one
PubChem CID91581678
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one
SMILESCCC(C)C(C)=C1NC(=O)CC=C1F
InChIInChI=1S/C11H16FNO/c1-4-7(2)8(3)11-9(12)5-6-10(14)13-11/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyWTWUIABINZRDOL-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one?
The IUPAC name of 5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one (CID 91581678) is 5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one?
The canonical SMILES for 5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one is CCC(C)C(C)=C1NC(=O)CC=C1F.
What is the InChIKey of 5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one?
The InChIKey is WTWUIABINZRDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-4-7(2)8(3)11-9(12)5-6-10(14)13-11/h5,7H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one?
5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one has a molecular weight of 197.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one is sourced from PubChem (CID 91581678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).