1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one

C10H15NO3 — CID 79884865

IUPAC1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C(CO)CO
InChIInChI=1S/C10H15NO3/c1-7-3-10(14)4-8(2)11(7)9(5-12)6-13/h3-4,9,12-13H,5-6H2,1-2H3
InChIKeySMZHDHZQFTVOLG-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.01
Rot. Bonds3

About 1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one

1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one (PubChem CID 79884865) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one
PubChem CID79884865
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C(CO)CO
InChIInChI=1S/C10H15NO3/c1-7-3-10(14)4-8(2)11(7)9(5-12)6-13/h3-4,9,12-13H,5-6H2,1-2H3
InChIKeySMZHDHZQFTVOLG-UHFFFAOYSA-N
XLogP-0.01
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one (CID 79884865) is 1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1C(CO)CO.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one?
The InChIKey is SMZHDHZQFTVOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-3-10(14)4-8(2)11(7)9(5-12)6-13/h3-4,9,12-13H,5-6H2,1-2H3.
What are the key properties of 1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one?
1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79884865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).