2-tert-butyl-4,5-dihydro-2H-pyridin-3-one

C9H15NO — CID 57256695

IUPAC2-tert-butyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC(C)(C)C1N=CCCC1=O
InChIInChI=1S/C9H15NO/c1-9(2,3)8-7(11)5-4-6-10-8/h6,8H,4-5H2,1-3H3
InChIKeyVZJXICBZYSHRMB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.83
Rot. Bonds

About 2-tert-butyl-4,5-dihydro-2H-pyridin-3-one

2-tert-butyl-4,5-dihydro-2H-pyridin-3-one (PubChem CID 57256695) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4,5-dihydro-2H-pyridin-3-one
PubChem CID57256695
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-tert-butyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC(C)(C)C1N=CCCC1=O
InChIInChI=1S/C9H15NO/c1-9(2,3)8-7(11)5-4-6-10-8/h6,8H,4-5H2,1-3H3
InChIKeyVZJXICBZYSHRMB-UHFFFAOYSA-N
XLogP1.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
CID 57004777
2-ethyl-4,5-dihydro-2H-pyridin-3-one
CID 57073546
2-tert-butyl-4-ethyl-4,5-dimethyl-2H-pyrrol-3-one
CID 163842109
1-Cyclohexylimino-4,4-dimethylpentan-3-one
CID 86232034
2-(2,2-dimethylpropyl)-2H-pyridine-3,5-dione
CID 160330374

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 2-tert-butyl-4,5-dihydro-2H-pyridin-3-one (CID 57256695) is 2-tert-butyl-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 2-tert-butyl-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 2-tert-butyl-4,5-dihydro-2H-pyridin-3-one is CC(C)(C)C1N=CCCC1=O.
What is the InChIKey of 2-tert-butyl-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is VZJXICBZYSHRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)8-7(11)5-4-6-10-8/h6,8H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-4,5-dihydro-2H-pyridin-3-one?
2-tert-butyl-4,5-dihydro-2H-pyridin-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 57256695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).