4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one

C7H11NO2 — CID 54712242

IUPAC4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
SMILESCC1(C)CC(O)=CC(=O)N1
InChIInChI=1S/C7H11NO2/c1-7(2)4-5(9)3-6(10)8-7/h3,9H,4H2,1-2H3,(H,8,10)
InChIKeyQTJAZIMBQSRVEJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.73
Rot. Bonds

About 4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one

4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one (PubChem CID 54712242) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
PubChem CID54712242
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
SMILESCC1(C)CC(O)=CC(=O)N1
InChIInChI=1S/C7H11NO2/c1-7(2)4-5(9)3-6(10)8-7/h3,9H,4H2,1-2H3,(H,8,10)
InChIKeyQTJAZIMBQSRVEJ-UHFFFAOYSA-N
XLogP0.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The IUPAC name of 4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one (CID 54712242) is 4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one.
What is the SMILES notation for 4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The canonical SMILES for 4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one is CC1(C)CC(O)=CC(=O)N1.
What is the InChIKey of 4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The InChIKey is QTJAZIMBQSRVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(2)4-5(9)3-6(10)8-7/h3,9H,4H2,1-2H3,(H,8,10).
What are the key properties of 4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one has a molecular weight of 141.17 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 54712242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).