4-(4-hydroxybutyl)-1-methylpyridin-2-one

C10H15NO2 — CID 69191130

IUPAC4-(4-hydroxybutyl)-1-methylpyridin-2-one
SMILESCn1ccc(CCCCO)cc1=O
InChIInChI=1S/C10H15NO2/c1-11-6-5-9(8-10(11)13)4-2-3-7-12/h5-6,8,12H,2-4,7H2,1H3
InChIKeyDKXWZDJKQTVDGJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.70
Rot. Bonds4

About 4-(4-hydroxybutyl)-1-methylpyridin-2-one

4-(4-hydroxybutyl)-1-methylpyridin-2-one (PubChem CID 69191130) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(4-hydroxybutyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(4-hydroxybutyl)-1-methylpyridin-2-one
PubChem CID69191130
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-(4-hydroxybutyl)-1-methylpyridin-2-one
SMILESCn1ccc(CCCCO)cc1=O
InChIInChI=1S/C10H15NO2/c1-11-6-5-9(8-10(11)13)4-2-3-7-12/h5-6,8,12H,2-4,7H2,1H3
InChIKeyDKXWZDJKQTVDGJ-UHFFFAOYSA-N
XLogP0.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(4-hydroxybutyl)-1-methylpyridin-2-one (CID 69191130) is 4-(4-hydroxybutyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(4-hydroxybutyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(4-hydroxybutyl)-1-methylpyridin-2-one is Cn1ccc(CCCCO)cc1=O.
What is the InChIKey of 4-(4-hydroxybutyl)-1-methylpyridin-2-one?
The InChIKey is DKXWZDJKQTVDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-6-5-9(8-10(11)13)4-2-3-7-12/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 4-(4-hydroxybutyl)-1-methylpyridin-2-one?
4-(4-hydroxybutyl)-1-methylpyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutyl)-1-methylpyridin-2-one is sourced from PubChem (CID 69191130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).