1-butan-2-ylpyridin-2-one

C9H13NO — CID 18724633

IUPAC1-butan-2-ylpyridin-2-one
SMILESCCC(C)n1ccccc1=O
InChIInChI=1S/C9H13NO/c1-3-8(2)10-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3
InChIKeyIORCLMWWQWCYOF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.82
Rot. Bonds2

About 1-butan-2-ylpyridin-2-one

1-butan-2-ylpyridin-2-one (PubChem CID 18724633) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-butan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-butan-2-ylpyridin-2-one
PubChem CID18724633
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-butan-2-ylpyridin-2-one
SMILESCCC(C)n1ccccc1=O
InChIInChI=1S/C9H13NO/c1-3-8(2)10-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3
InChIKeyIORCLMWWQWCYOF-UHFFFAOYSA-N
XLogP1.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylpyridin-2-one?
The IUPAC name of 1-butan-2-ylpyridin-2-one (CID 18724633) is 1-butan-2-ylpyridin-2-one.
What is the SMILES notation for 1-butan-2-ylpyridin-2-one?
The canonical SMILES for 1-butan-2-ylpyridin-2-one is CCC(C)n1ccccc1=O.
What is the InChIKey of 1-butan-2-ylpyridin-2-one?
The InChIKey is IORCLMWWQWCYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8(2)10-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3.
What are the key properties of 1-butan-2-ylpyridin-2-one?
1-butan-2-ylpyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylpyridin-2-one is sourced from PubChem (CID 18724633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).