6-hydroxy-4-propanoyl-1H-pyridin-2-one

C8H9NO3 — CID 89330875

IUPAC6-hydroxy-4-propanoyl-1H-pyridin-2-one
SMILESCCC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C8H9NO3/c1-2-6(10)5-3-7(11)9-8(12)4-5/h3-4H,2H2,1H3,(H2,9,11,12)
InChIKeyQSACGWXEALEJIZ-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.67
Rot. Bonds2

About 6-hydroxy-4-propanoyl-1H-pyridin-2-one

6-hydroxy-4-propanoyl-1H-pyridin-2-one (PubChem CID 89330875) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 6-hydroxy-4-propanoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-4-propanoyl-1H-pyridin-2-one
PubChem CID89330875
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name6-hydroxy-4-propanoyl-1H-pyridin-2-one
SMILESCCC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C8H9NO3/c1-2-6(10)5-3-7(11)9-8(12)4-5/h3-4H,2H2,1H3,(H2,9,11,12)
InChIKeyQSACGWXEALEJIZ-UHFFFAOYSA-N
XLogP0.67
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-propanoyl-1H-pyridin-2-one?
The IUPAC name of 6-hydroxy-4-propanoyl-1H-pyridin-2-one (CID 89330875) is 6-hydroxy-4-propanoyl-1H-pyridin-2-one.
What is the SMILES notation for 6-hydroxy-4-propanoyl-1H-pyridin-2-one?
The canonical SMILES for 6-hydroxy-4-propanoyl-1H-pyridin-2-one is CCC(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 6-hydroxy-4-propanoyl-1H-pyridin-2-one?
The InChIKey is QSACGWXEALEJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-6(10)5-3-7(11)9-8(12)4-5/h3-4H,2H2,1H3,(H2,9,11,12).
What are the key properties of 6-hydroxy-4-propanoyl-1H-pyridin-2-one?
6-hydroxy-4-propanoyl-1H-pyridin-2-one has a molecular weight of 167.16 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-propanoyl-1H-pyridin-2-one is sourced from PubChem (CID 89330875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).