2-(2-methylpropyl)-1H-pyridin-4-one

C9H13NO — CID 106517819

IUPAC2-(2-methylpropyl)-1H-pyridin-4-one
SMILESCC(C)Cc1cc(=O)cc[nH]1
InChIInChI=1S/C9H13NO/c1-7(2)5-8-6-9(11)3-4-10-8/h3-4,6-7H,5H2,1-2H3,(H,10,11)
InChIKeySFNPTJHVWUCBTL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.57
Rot. Bonds2

About 2-(2-methylpropyl)-1H-pyridin-4-one

2-(2-methylpropyl)-1H-pyridin-4-one (PubChem CID 106517819) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-1H-pyridin-4-one
PubChem CID106517819
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(2-methylpropyl)-1H-pyridin-4-one
SMILESCC(C)Cc1cc(=O)cc[nH]1
InChIInChI=1S/C9H13NO/c1-7(2)5-8-6-9(11)3-4-10-8/h3-4,6-7H,5H2,1-2H3,(H,10,11)
InChIKeySFNPTJHVWUCBTL-UHFFFAOYSA-N
XLogP1.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1H-pyridin-4-one?
The IUPAC name of 2-(2-methylpropyl)-1H-pyridin-4-one (CID 106517819) is 2-(2-methylpropyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-1H-pyridin-4-one is CC(C)Cc1cc(=O)cc[nH]1.
What is the InChIKey of 2-(2-methylpropyl)-1H-pyridin-4-one?
The InChIKey is SFNPTJHVWUCBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)5-8-6-9(11)3-4-10-8/h3-4,6-7H,5H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-methylpropyl)-1H-pyridin-4-one?
2-(2-methylpropyl)-1H-pyridin-4-one has a molecular weight of 151.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1H-pyridin-4-one is sourced from PubChem (CID 106517819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).