1,4-ditert-butyl-2,6-dihydropyridin-3-one

C13H23NO — CID 1415588

IUPAC1,4-ditert-butyl-2,6-dihydropyridin-3-one
SMILESCC(C)(C)C1=CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C13H23NO/c1-12(2,3)10-7-8-14(9-11(10)15)13(4,5)6/h7H,8-9H2,1-6H3
InChIKeyCJSMTBMSOLOKGY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds

About 1,4-ditert-butyl-2,6-dihydropyridin-3-one

1,4-ditert-butyl-2,6-dihydropyridin-3-one (PubChem CID 1415588) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1,4-ditert-butyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1,4-ditert-butyl-2,6-dihydropyridin-3-one
PubChem CID1415588
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1,4-ditert-butyl-2,6-dihydropyridin-3-one
SMILESCC(C)(C)C1=CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C13H23NO/c1-12(2,3)10-7-8-14(9-11(10)15)13(4,5)6/h7H,8-9H2,1-6H3
InChIKeyCJSMTBMSOLOKGY-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-one
CID 21757433
2H-Pyridin-3-one, 1,5-di-tert-butyl-1,6-dihydro-
CID 871578
Cambridge id 5548354
CID 2851696
1-tert-butyl-4-methyl-1,6-dihydropyridin-3(2H)-one
CID 760900
1-Tert-butyl-5-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one
CID 1415615
5-(Tert-butyl)-1,2-dimethyl-1,6-dihydro-3(2H)-pyridinone
CID 13443196
2,2-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-one
CID 57595224
1-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-2,2-dimethylpropan-1-one
CID 57595324
1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2,2-dimethylpropan-1-one
CID 57595337
1,5-ditert-butyl-2H-pyridine-3,6-dione
CID 60109448
(6R)-6-ethyl-1-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one
CID 117945274
1,2,2,4,6,6-Hexamethyl-5-prop-2-enoylpyridin-3-one
CID 141019370

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1,4-ditert-butyl-2,6-dihydropyridin-3-one (CID 1415588) is 1,4-ditert-butyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1,4-ditert-butyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1,4-ditert-butyl-2,6-dihydropyridin-3-one is CC(C)(C)C1=CCN(C(C)(C)C)CC1=O.
What is the InChIKey of 1,4-ditert-butyl-2,6-dihydropyridin-3-one?
The InChIKey is CJSMTBMSOLOKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2,3)10-7-8-14(9-11(10)15)13(4,5)6/h7H,8-9H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-2,6-dihydropyridin-3-one?
1,4-ditert-butyl-2,6-dihydropyridin-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 1415588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).