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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Launch Full Analysis

Related Compounds

5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one
CID 118446180
4-fluoro-6-methyl-5-propan-2-yl-1H-pyridin-2-one
CID 122543524
4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one
CID 122543536
N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide
CID 143601144
N-(4-fluorocyclohexa-1,3-dien-1-yl)-3-methylbutanamide
CID 144162091
3-fluoro-6-methyl-5-propan-2-yl-1H-pyridin-2-one
CID 164529817
5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one
CID 164837312
4-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one
CID 172096096
6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one
CID 176560496
6-butan-2-yl-3-(2-fluoroethyl)-1H-pyridin-2-one
CID 176560704
N-[(3Z,5Z)-3-fluoro-5-propan-2-ylhepta-1,3,5-trien-4-yl]prop-2-enamide
CID 178056915
N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide
CID 143587729

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).