5-butanoyl-6-propyl-1H-pyridin-2-one

C12H17NO2 — CID 13236509

IUPAC5-butanoyl-6-propyl-1H-pyridin-2-one
SMILESCCCC(=O)c1ccc(=O)[nH]c1CCC
InChIInChI=1S/C12H17NO2/c1-3-5-10-9(11(14)6-4-2)7-8-12(15)13-10/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyPZEKGFBWTAFPDA-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.31
Rot. Bonds5

About 5-butanoyl-6-propyl-1H-pyridin-2-one

5-butanoyl-6-propyl-1H-pyridin-2-one (PubChem CID 13236509) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-butanoyl-6-propyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-butanoyl-6-propyl-1H-pyridin-2-one
PubChem CID13236509
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-butanoyl-6-propyl-1H-pyridin-2-one
SMILESCCCC(=O)c1ccc(=O)[nH]c1CCC
InChIInChI=1S/C12H17NO2/c1-3-5-10-9(11(14)6-4-2)7-8-12(15)13-10/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyPZEKGFBWTAFPDA-UHFFFAOYSA-N
XLogP2.31
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butanoyl-6-propyl-1H-pyridin-2-one?
The IUPAC name of 5-butanoyl-6-propyl-1H-pyridin-2-one (CID 13236509) is 5-butanoyl-6-propyl-1H-pyridin-2-one.
What is the SMILES notation for 5-butanoyl-6-propyl-1H-pyridin-2-one?
The canonical SMILES for 5-butanoyl-6-propyl-1H-pyridin-2-one is CCCC(=O)c1ccc(=O)[nH]c1CCC.
What is the InChIKey of 5-butanoyl-6-propyl-1H-pyridin-2-one?
The InChIKey is PZEKGFBWTAFPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-5-10-9(11(14)6-4-2)7-8-12(15)13-10/h7-8H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 5-butanoyl-6-propyl-1H-pyridin-2-one?
5-butanoyl-6-propyl-1H-pyridin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanoyl-6-propyl-1H-pyridin-2-one is sourced from PubChem (CID 13236509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).