6-tert-butyl-2H-pyridin-3-one

C9H13NO — CID 148832851

IUPAC6-tert-butyl-2H-pyridin-3-one
SMILESCC(C)(C)C1=NCC(=O)C=C1
InChIInChI=1S/C9H13NO/c1-9(2,3)8-5-4-7(11)6-10-8/h4-5H,6H2,1-3H3
InChIKeyOUADLIXDEYBAJG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.61
Rot. Bonds

About 6-tert-butyl-2H-pyridin-3-one

6-tert-butyl-2H-pyridin-3-one (PubChem CID 148832851) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-tert-butyl-2H-pyridin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2H-pyridin-3-one
PubChem CID148832851
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-tert-butyl-2H-pyridin-3-one
SMILESCC(C)(C)C1=NCC(=O)C=C1
InChIInChI=1S/C9H13NO/c1-9(2,3)8-5-4-7(11)6-10-8/h4-5H,6H2,1-3H3
InChIKeyOUADLIXDEYBAJG-UHFFFAOYSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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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Related Compounds

1-Methyl-2-aza-spiro[4.5]deca-1,6,9-trien-8-one
CID 129758832
4-Ethyliminocyclohexa-2,5-dien-1-one
CID 22749398
(E)-5-methyliminohept-3-en-2-one
CID 123464330
2-methyl-6-propan-2-yl-2H-pyridin-3-one
CID 146487908
6-propyl-2H-pyridin-3-one
CID 152103682
6-ethyl-2-methyl-2H-pyridin-3-one
CID 152133882
methane;6-methyl-2H-pyridin-3-one
CID 158116466
6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride
CID 174561179
6-propan-2-yl-2H-pyridin-3-one
CID 153943994
(E)-4,4-dimethyl-1-(3H-pyrrol-2-yl)pent-1-en-3-one
CID 158499102

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2H-pyridin-3-one?
The IUPAC name of 6-tert-butyl-2H-pyridin-3-one (CID 148832851) is 6-tert-butyl-2H-pyridin-3-one.
What is the SMILES notation for 6-tert-butyl-2H-pyridin-3-one?
The canonical SMILES for 6-tert-butyl-2H-pyridin-3-one is CC(C)(C)C1=NCC(=O)C=C1.
What is the InChIKey of 6-tert-butyl-2H-pyridin-3-one?
The InChIKey is OUADLIXDEYBAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(2,3)8-5-4-7(11)6-10-8/h4-5H,6H2,1-3H3.
What are the key properties of 6-tert-butyl-2H-pyridin-3-one?
6-tert-butyl-2H-pyridin-3-one has a molecular weight of 151.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2H-pyridin-3-one is sourced from PubChem (CID 148832851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).