5-(2-methylpropyl)-1H-pyridin-2-one

C9H13NO — CID 58821255

IUPAC5-(2-methylpropyl)-1H-pyridin-2-one
SMILESCC(C)Cc1ccc(=O)[nH]c1
InChIInChI=1S/C9H13NO/c1-7(2)5-8-3-4-9(11)10-6-8/h3-4,6-7H,5H2,1-2H3,(H,10,11)
InChIKeyAJAHXEKQOQPAHD-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.57
Rot. Bonds2

About 5-(2-methylpropyl)-1H-pyridin-2-one

5-(2-methylpropyl)-1H-pyridin-2-one (PubChem CID 58821255) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-1H-pyridin-2-one
PubChem CID58821255
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-(2-methylpropyl)-1H-pyridin-2-one
SMILESCC(C)Cc1ccc(=O)[nH]c1
InChIInChI=1S/C9H13NO/c1-7(2)5-8-3-4-9(11)10-6-8/h3-4,6-7H,5H2,1-2H3,(H,10,11)
InChIKeyAJAHXEKQOQPAHD-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 5-(2-methylpropyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-methylpropyl)-1H-pyridin-2-one (CID 58821255) is 5-(2-methylpropyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-methylpropyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-methylpropyl)-1H-pyridin-2-one is CC(C)Cc1ccc(=O)[nH]c1.
What is the InChIKey of 5-(2-methylpropyl)-1H-pyridin-2-one?
The InChIKey is AJAHXEKQOQPAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)5-8-3-4-9(11)10-6-8/h3-4,6-7H,5H2,1-2H3,(H,10,11).
What are the key properties of 5-(2-methylpropyl)-1H-pyridin-2-one?
5-(2-methylpropyl)-1H-pyridin-2-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 5-(2-methylpropyl)-1H-pyridin-2-one is sourced from PubChem (CID 58821255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).