5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one

C9H13NO2 — CID 67830785

IUPAC5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one
SMILESCC1=C(O)C(=O)C(C(C)C)C=N1
InChIInChI=1S/C9H13NO2/c1-5(2)7-4-10-6(3)8(11)9(7)12/h4-5,7,11H,1-3H3
InChIKeyVSFBWSVNNQUFSJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.70
Rot. Bonds1

About 5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one

5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one (PubChem CID 67830785) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one
PubChem CID67830785
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one
SMILESCC1=C(O)C(=O)C(C(C)C)C=N1
InChIInChI=1S/C9H13NO2/c1-5(2)7-4-10-6(3)8(11)9(7)12/h4-5,7,11H,1-3H3
InChIKeyVSFBWSVNNQUFSJ-UHFFFAOYSA-N
XLogP1.70
TPSA49.66 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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one?
The IUPAC name of 5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one (CID 67830785) is 5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one.
What is the SMILES notation for 5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one?
The canonical SMILES for 5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one is CC1=C(O)C(=O)C(C(C)C)C=N1.
What is the InChIKey of 5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one?
The InChIKey is VSFBWSVNNQUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-5(2)7-4-10-6(3)8(11)9(7)12/h4-5,7,11H,1-3H3.
What are the key properties of 5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one?
5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-3-propan-2-yl-3H-pyridin-4-one is sourced from PubChem (CID 67830785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).