1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one

C10H15NO3 — CID 59933813

IUPAC1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one
SMILESCc1c(C)n(CC(O)CO)ccc1=O
InChIInChI=1S/C10H15NO3/c1-7-8(2)11(4-3-10(7)14)5-9(13)6-12/h3-4,9,12-13H,5-6H2,1-2H3
InChIKeyFEXKBQGNPKZWKO-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.18
Rot. Bonds3

About 1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one

1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one (PubChem CID 59933813) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one
PubChem CID59933813
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one
SMILESCc1c(C)n(CC(O)CO)ccc1=O
InChIInChI=1S/C10H15NO3/c1-7-8(2)11(4-3-10(7)14)5-9(13)6-12/h3-4,9,12-13H,5-6H2,1-2H3
InChIKeyFEXKBQGNPKZWKO-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one (CID 59933813) is 1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one is Cc1c(C)n(CC(O)CO)ccc1=O.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one?
The InChIKey is FEXKBQGNPKZWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-8(2)11(4-3-10(7)14)5-9(13)6-12/h3-4,9,12-13H,5-6H2,1-2H3.
What are the key properties of 1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one?
1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-2,3-dimethylpyridin-4-one is sourced from PubChem (CID 59933813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).