1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one

C14H25NO2 — CID 146435550

IUPAC1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one
SMILESCOC1=C(C(C)(C)C)C(=O)N(C(C)(C)C)CC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)11-10(17-7)8-9-15(12(11)16)14(4,5)6/h8-9H2,1-7H3
InChIKeyCZIAGFYQICWBQU-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.96
Rot. Bonds1

About 1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one

1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one (PubChem CID 146435550) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one
PubChem CID146435550
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one
SMILESCOC1=C(C(C)(C)C)C(=O)N(C(C)(C)C)CC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)11-10(17-7)8-9-15(12(11)16)14(4,5)6/h8-9H2,1-7H3
InChIKeyCZIAGFYQICWBQU-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one?
The IUPAC name of 1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one (CID 146435550) is 1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one?
The canonical SMILES for 1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one is COC1=C(C(C)(C)C)C(=O)N(C(C)(C)C)CC1.
What is the InChIKey of 1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one?
The InChIKey is CZIAGFYQICWBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,3)11-10(17-7)8-9-15(12(11)16)14(4,5)6/h8-9H2,1-7H3.
What are the key properties of 1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one?
1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one has a molecular weight of 239.36 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butyl-4-methoxy-2,3-dihydropyridin-6-one is sourced from PubChem (CID 146435550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).