1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one

C10H13NO2 — CID 58067565

IUPAC1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one
SMILESCc1cn(CC2CC2)cc(O)c1=O
InChIInChI=1S/C10H13NO2/c1-7-4-11(5-8-2-3-8)6-9(12)10(7)13/h4,6,8,12H,2-3,5H2,1H3
InChIKeyLTKBFESAXFXYDM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.27
Rot. Bonds2

About 1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one

1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one (PubChem CID 58067565) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one
PubChem CID58067565
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one
SMILESCc1cn(CC2CC2)cc(O)c1=O
InChIInChI=1S/C10H13NO2/c1-7-4-11(5-8-2-3-8)6-9(12)10(7)13/h4,6,8,12H,2-3,5H2,1H3
InChIKeyLTKBFESAXFXYDM-UHFFFAOYSA-N
XLogP1.27
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one (CID 58067565) is 1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one is Cc1cn(CC2CC2)cc(O)c1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one?
The InChIKey is LTKBFESAXFXYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-11(5-8-2-3-8)6-9(12)10(7)13/h4,6,8,12H,2-3,5H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one?
1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one has a molecular weight of 179.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-hydroxy-5-methylpyridin-4-one is sourced from PubChem (CID 58067565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).