3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one

C9H10FNO — CID 164529822

IUPAC3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one
SMILESC=C(C)c1cc(F)c(=O)[nH]c1C
InChIInChI=1S/C9H10FNO/c1-5(2)7-4-8(10)9(12)11-6(7)3/h4H,1H2,2-3H3,(H,11,12)
InChIKeyRXDBQKQTTFYOBI-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.86
Rot. Bonds1

About 3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one

3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one (PubChem CID 164529822) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one
PubChem CID164529822
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one
SMILESC=C(C)c1cc(F)c(=O)[nH]c1C
InChIInChI=1S/C9H10FNO/c1-5(2)7-4-8(10)9(12)11-6(7)3/h4H,1H2,2-3H3,(H,11,12)
InChIKeyRXDBQKQTTFYOBI-UHFFFAOYSA-N
XLogP1.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one (CID 164529822) is 3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one is C=C(C)c1cc(F)c(=O)[nH]c1C.
What is the InChIKey of 3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one?
The InChIKey is RXDBQKQTTFYOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-5(2)7-4-8(10)9(12)11-6(7)3/h4H,1H2,2-3H3,(H,11,12).
What are the key properties of 3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one?
3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one has a molecular weight of 167.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-5-prop-1-en-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 164529822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).