3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one

C9H13NO2 — CID 10130140

IUPAC3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C(C)C
InChIInChI=1S/C9H13NO2/c1-6(2)10-5-4-8(11)9(12)7(10)3/h4-6,12H,1-3H3
InChIKeyUPFWEAFOAQNIHR-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.44
Rot. Bonds1

About 3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one

3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one (PubChem CID 10130140) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one
PubChem CID10130140
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C(C)C
InChIInChI=1S/C9H13NO2/c1-6(2)10-5-4-8(11)9(12)7(10)3/h4-6,12H,1-3H3
InChIKeyUPFWEAFOAQNIHR-UHFFFAOYSA-N
XLogP1.44
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2972
CID 2972
CID 86322
CID 86322
CID 121732
CID 121732
CID 94413
CID 94413
CID 12280547
CID 12280547
CID 162644991
CID 162644991
CID 86320
CID 86320
CID 86345
CID 86345
CID 86380
CID 86380
CID 94414
CID 94414
CID 121733
CID 121733
CID 121734
CID 121734

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one (CID 10130140) is 3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one is Cc1c(O)c(=O)ccn1C(C)C.
What is the InChIKey of 3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one?
The InChIKey is UPFWEAFOAQNIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(2)10-5-4-8(11)9(12)7(10)3/h4-6,12H,1-3H3.
What are the key properties of 3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one?
3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 10130140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).