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

C9H13NO — CID 22623662

IUPAC2-(2-methylpropyl)-2H-pyridin-3-one
SMILESCC(C)CC1N=CC=CC1=O
InChIInChI=1S/C9H13NO/c1-7(2)6-8-9(11)4-3-5-10-8/h3-5,7-8H,6H2,1-2H3
InChIKeyGQZJXNHNUGWMIC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.61
Rot. Bonds2

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

2-(2-methylpropyl)-2H-pyridin-3-one (PubChem CID 22623662) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2H-pyridin-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-2H-pyridin-3-one
PubChem CID22623662
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(2-methylpropyl)-2H-pyridin-3-one
SMILESCC(C)CC1N=CC=CC1=O
InChIInChI=1S/C9H13NO/c1-7(2)6-8-9(11)4-3-5-10-8/h3-5,7-8H,6H2,1-2H3
InChIKeyGQZJXNHNUGWMIC-UHFFFAOYSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2H-pyridin-3-one?
The IUPAC name of 2-(2-methylpropyl)-2H-pyridin-3-one (CID 22623662) is 2-(2-methylpropyl)-2H-pyridin-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-2H-pyridin-3-one?
The canonical SMILES for 2-(2-methylpropyl)-2H-pyridin-3-one is CC(C)CC1N=CC=CC1=O.
What is the InChIKey of 2-(2-methylpropyl)-2H-pyridin-3-one?
The InChIKey is GQZJXNHNUGWMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)6-8-9(11)4-3-5-10-8/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-2H-pyridin-3-one?
2-(2-methylpropyl)-2H-pyridin-3-one has a molecular weight of 151.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2H-pyridin-3-one is sourced from PubChem (CID 22623662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).