4-(2-methylpropyl)-3H-pyridin-2-one

C9H13NO — CID 148639558

IUPAC4-(2-methylpropyl)-3H-pyridin-2-one
SMILESCC(C)CC1=CC=NC(=O)C1
InChIInChI=1S/C9H13NO/c1-7(2)5-8-3-4-10-9(11)6-8/h3-4,7H,5-6H2,1-2H3
InChIKeyNJSZGXHRERCOFC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.96
Rot. Bonds2

About 4-(2-methylpropyl)-3H-pyridin-2-one

4-(2-methylpropyl)-3H-pyridin-2-one (PubChem CID 148639558) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-3H-pyridin-2-one
PubChem CID148639558
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-(2-methylpropyl)-3H-pyridin-2-one
SMILESCC(C)CC1=CC=NC(=O)C1
InChIInChI=1S/C9H13NO/c1-7(2)5-8-3-4-10-9(11)6-8/h3-4,7H,5-6H2,1-2H3
InChIKeyNJSZGXHRERCOFC-UHFFFAOYSA-N
XLogP1.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3H-pyridin-2-one?
The IUPAC name of 4-(2-methylpropyl)-3H-pyridin-2-one (CID 148639558) is 4-(2-methylpropyl)-3H-pyridin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-3H-pyridin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-3H-pyridin-2-one is CC(C)CC1=CC=NC(=O)C1.
What is the InChIKey of 4-(2-methylpropyl)-3H-pyridin-2-one?
The InChIKey is NJSZGXHRERCOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)5-8-3-4-10-9(11)6-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-3H-pyridin-2-one?
4-(2-methylpropyl)-3H-pyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3H-pyridin-2-one is sourced from PubChem (CID 148639558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).