3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one

C9H14FNO — CID 170011942

IUPAC3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
SMILESCC(C)C1=CC(F)C(C)NC1=O
InChIInChI=1S/C9H14FNO/c1-5(2)7-4-8(10)6(3)11-9(7)12/h4-6,8H,1-3H3,(H,11,12)
InChIKeyPBXPUUWECSTNQV-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.43
Rot. Bonds1

About 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one

3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 170011942) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
PubChem CID170011942
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
SMILESCC(C)C1=CC(F)C(C)NC1=O
InChIInChI=1S/C9H14FNO/c1-5(2)7-4-8(10)6(3)11-9(7)12/h4-6,8H,1-3H3,(H,11,12)
InChIKeyPBXPUUWECSTNQV-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one (CID 170011942) is 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one is CC(C)C1=CC(F)C(C)NC1=O.
What is the InChIKey of 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is PBXPUUWECSTNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-5(2)7-4-8(10)6(3)11-9(7)12/h4-6,8H,1-3H3,(H,11,12).
What are the key properties of 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 171.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 170011942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).