6-tert-butyl-1H-pyridin-2-one

C9H13NO — CID 13494636

IUPAC6-tert-butyl-1H-pyridin-2-one
SMILESCC(C)(C)c1cccc(=O)[nH]1
InChIInChI=1S/C9H13NO/c1-9(2,3)7-5-4-6-8(11)10-7/h4-6H,1-3H3,(H,10,11)
InChIKeyKEBYYKZCEJVXIG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.67
Rot. Bonds

About 6-tert-butyl-1H-pyridin-2-one

6-tert-butyl-1H-pyridin-2-one (PubChem CID 13494636) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-tert-butyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-1H-pyridin-2-one
PubChem CID13494636
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-tert-butyl-1H-pyridin-2-one
SMILESCC(C)(C)c1cccc(=O)[nH]1
InChIInChI=1S/C9H13NO/c1-9(2,3)7-5-4-6-8(11)10-7/h4-6H,1-3H3,(H,10,11)
InChIKeyKEBYYKZCEJVXIG-UHFFFAOYSA-N
XLogP1.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3240963
1-Methylisoquinolin-3-ol
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(E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-enamide
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5,6-Dimethyl-2-pyridone
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1H-Pyridin-2-one, 6-ethyl-
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6-Isopropylpyridin-2(1H)-one
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CID 165868658
4-Methyl-5-(2-methylpropylidene)pyrrol-2-one
CID 71435950
3-Methyl-6-propyl-1h-pyridin-2-one
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1,4-dimethyl-2H-isoquinolin-3-one
CID 15252083

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-pyridin-2-one?
The IUPAC name of 6-tert-butyl-1H-pyridin-2-one (CID 13494636) is 6-tert-butyl-1H-pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-1H-pyridin-2-one?
The canonical SMILES for 6-tert-butyl-1H-pyridin-2-one is CC(C)(C)c1cccc(=O)[nH]1.
What is the InChIKey of 6-tert-butyl-1H-pyridin-2-one?
The InChIKey is KEBYYKZCEJVXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(2,3)7-5-4-6-8(11)10-7/h4-6H,1-3H3,(H,10,11).
What are the key properties of 6-tert-butyl-1H-pyridin-2-one?
6-tert-butyl-1H-pyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-pyridin-2-one is sourced from PubChem (CID 13494636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).