1-butyl-4-propan-2-ylpyridin-2-one

C12H19NO — CID 59509257

IUPAC1-butyl-4-propan-2-ylpyridin-2-one
SMILESCCCCn1ccc(C(C)C)cc1=O
InChIInChI=1S/C12H19NO/c1-4-5-7-13-8-6-11(10(2)3)9-12(13)14/h6,8-10H,4-5,7H2,1-3H3
InChIKeyNXPKXFNXQDKIMP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.77
Rot. Bonds4

About 1-butyl-4-propan-2-ylpyridin-2-one

1-butyl-4-propan-2-ylpyridin-2-one (PubChem CID 59509257) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-butyl-4-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-4-propan-2-ylpyridin-2-one
PubChem CID59509257
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-butyl-4-propan-2-ylpyridin-2-one
SMILESCCCCn1ccc(C(C)C)cc1=O
InChIInChI=1S/C12H19NO/c1-4-5-7-13-8-6-11(10(2)3)9-12(13)14/h6,8-10H,4-5,7H2,1-3H3
InChIKeyNXPKXFNXQDKIMP-UHFFFAOYSA-N
XLogP2.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-propan-2-ylpyridin-2-one?
The IUPAC name of 1-butyl-4-propan-2-ylpyridin-2-one (CID 59509257) is 1-butyl-4-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-butyl-4-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-butyl-4-propan-2-ylpyridin-2-one is CCCCn1ccc(C(C)C)cc1=O.
What is the InChIKey of 1-butyl-4-propan-2-ylpyridin-2-one?
The InChIKey is NXPKXFNXQDKIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-7-13-8-6-11(10(2)3)9-12(13)14/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of 1-butyl-4-propan-2-ylpyridin-2-one?
1-butyl-4-propan-2-ylpyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-propan-2-ylpyridin-2-one is sourced from PubChem (CID 59509257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).