4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one

C8H13NO2 — CID 137433281

IUPAC4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
SMILESCC(C)C1CC(O)=CC(=O)N1
InChIInChI=1S/C8H13NO2/c1-5(2)7-3-6(10)4-8(11)9-7/h4-5,7,10H,3H2,1-2H3,(H,9,11)
InChIKeyRABLHVBBYOVYLO-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds1

About 4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one

4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 137433281) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
PubChem CID137433281
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
SMILESCC(C)C1CC(O)=CC(=O)N1
InChIInChI=1S/C8H13NO2/c1-5(2)7-3-6(10)4-8(11)9-7/h4-5,7,10H,3H2,1-2H3,(H,9,11)
InChIKeyRABLHVBBYOVYLO-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-hydroxy-2-propyl-2,3-dihydro-1H-pyridin-6-one
CID 54687257
4-Hydroxy-6-propyl-1,2,5,6-tetrahydropyridin-2-one
CID 54705604
4-Hydroxy-5-isopropyl-1,5-dihydro-pyrrol-2-one
CID 56604111
4-hydroxy-2,3-dimethyl-2,3-dihydro-1H-pyridin-6-one
CID 59936977
3-Hydroxy-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
CID 85685066
2-Butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one
CID 91618641
5-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
CID 137433282
4-hydroxy-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
CID 142450825
4-hydroxy-3-methyl-2,3-dihydro-1H-pyridin-6-one
CID 142450912
4-hydroxy-3-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
CID 142451033
4-hydroxy-5-methyl-3-propyl-2,3-dihydro-1H-pyridin-6-one
CID 142451039
4-hydroxy-6-methyl-4a,8a-dihydro-1H-quinolin-2-one
CID 143863556

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one (CID 137433281) is 4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one is CC(C)C1CC(O)=CC(=O)N1.
What is the InChIKey of 4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is RABLHVBBYOVYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)7-3-6(10)4-8(11)9-7/h4-5,7,10H,3H2,1-2H3,(H,9,11).
What are the key properties of 4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 155.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 137433281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).