2-(3-methylpentanoyl)-1H-pyridin-4-one

C11H15NO2 — CID 144527814

IUPAC2-(3-methylpentanoyl)-1H-pyridin-4-one
SMILESCCC(C)CC(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C11H15NO2/c1-3-8(2)6-11(14)10-7-9(13)4-5-12-10/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeyHWPPYMHYSVSOGX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.99
Rot. Bonds4

About 2-(3-methylpentanoyl)-1H-pyridin-4-one

2-(3-methylpentanoyl)-1H-pyridin-4-one (PubChem CID 144527814) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(3-methylpentanoyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(3-methylpentanoyl)-1H-pyridin-4-one
PubChem CID144527814
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(3-methylpentanoyl)-1H-pyridin-4-one
SMILESCCC(C)CC(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C11H15NO2/c1-3-8(2)6-11(14)10-7-9(13)4-5-12-10/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeyHWPPYMHYSVSOGX-UHFFFAOYSA-N
XLogP1.99
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentanoyl)-1H-pyridin-4-one?
The IUPAC name of 2-(3-methylpentanoyl)-1H-pyridin-4-one (CID 144527814) is 2-(3-methylpentanoyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(3-methylpentanoyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(3-methylpentanoyl)-1H-pyridin-4-one is CCC(C)CC(=O)c1cc(=O)cc[nH]1.
What is the InChIKey of 2-(3-methylpentanoyl)-1H-pyridin-4-one?
The InChIKey is HWPPYMHYSVSOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-8(2)6-11(14)10-7-9(13)4-5-12-10/h4-5,7-8H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-methylpentanoyl)-1H-pyridin-4-one?
2-(3-methylpentanoyl)-1H-pyridin-4-one has a molecular weight of 193.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentanoyl)-1H-pyridin-4-one is sourced from PubChem (CID 144527814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).