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

C9H13NO — CID 12013020

IUPAC1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1ccccc1=O
InChIInChI=1S/C9H13NO/c1-8(2)7-10-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3
InChIKeyFCWLZYHFFOELKJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.50
Rot. Bonds2

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

1-(2-methylpropyl)pyridin-2-one (PubChem CID 12013020) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)pyridin-2-one
PubChem CID12013020
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1ccccc1=O
InChIInChI=1S/C9H13NO/c1-8(2)7-10-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3
InChIKeyFCWLZYHFFOELKJ-UHFFFAOYSA-N
XLogP1.50
TPSA22.00 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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 12755
CID 12755
CID 139434
CID 139434
CID 140460
CID 140460
CID 141350
CID 141350
CID 549116
CID 549116
CID 19959720
CID 19959720
CID 140872
CID 140872
CID 321774
CID 321774
CID 285480
CID 285480
CID 131751450
CID 131751450
CID 5991507
CID 5991507
CID 21724800
CID 21724800

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-(2-methylpropyl)pyridin-2-one (CID 12013020) is 1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-(2-methylpropyl)pyridin-2-one is CC(C)Cn1ccccc1=O.
What is the InChIKey of 1-(2-methylpropyl)pyridin-2-one?
The InChIKey is FCWLZYHFFOELKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(2)7-10-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)pyridin-2-one?
1-(2-methylpropyl)pyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 12013020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).