5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one

C9H12FNO — CID 118446180

IUPAC5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one
SMILESC=C1NC(=O)C(C(C)C)C=C1F
InChIInChI=1S/C9H12FNO/c1-5(2)7-4-8(10)6(3)11-9(7)12/h4-5,7H,3H2,1-2H3,(H,11,12)
InChIKeyWGCUMPFTHJRGPW-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.76
Rot. Bonds1

About 5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one

5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one (PubChem CID 118446180) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one
PubChem CID118446180
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one
SMILESC=C1NC(=O)C(C(C)C)C=C1F
InChIInChI=1S/C9H12FNO/c1-5(2)7-4-8(10)6(3)11-9(7)12/h4-5,7H,3H2,1-2H3,(H,11,12)
InChIKeyWGCUMPFTHJRGPW-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one?
The IUPAC name of 5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one (CID 118446180) is 5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one?
The canonical SMILES for 5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one is C=C1NC(=O)C(C(C)C)C=C1F.
What is the InChIKey of 5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one?
The InChIKey is WGCUMPFTHJRGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-5(2)7-4-8(10)6(3)11-9(7)12/h4-5,7H,3H2,1-2H3,(H,11,12).
What are the key properties of 5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one?
5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one has a molecular weight of 169.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one is sourced from PubChem (CID 118446180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).