1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one

C10H15NO2 — CID 78919833

IUPAC1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one
SMILESCc1ccn(C(C)C(C)O)c(=O)c1
InChIInChI=1S/C10H15NO2/c1-7-4-5-11(10(13)6-7)8(2)9(3)12/h4-6,8-9,12H,1-3H3
InChIKeyKHCPPPSQJHQCJA-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.10
Rot. Bonds2

About 1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one

1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one (PubChem CID 78919833) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one
PubChem CID78919833
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one
SMILESCc1ccn(C(C)C(C)O)c(=O)c1
InChIInChI=1S/C10H15NO2/c1-7-4-5-11(10(13)6-7)8(2)9(3)12/h4-6,8-9,12H,1-3H3
InChIKeyKHCPPPSQJHQCJA-UHFFFAOYSA-N
XLogP1.10
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one?
The IUPAC name of 1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one (CID 78919833) is 1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one?
The canonical SMILES for 1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one is Cc1ccn(C(C)C(C)O)c(=O)c1.
What is the InChIKey of 1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one?
The InChIKey is KHCPPPSQJHQCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-4-5-11(10(13)6-7)8(2)9(3)12/h4-6,8-9,12H,1-3H3.
What are the key properties of 1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one?
1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutan-2-yl)-4-methylpyridin-2-one is sourced from PubChem (CID 78919833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).