1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one

C14H25NO — CID 1415570

IUPAC1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one
SMILESCC(C)(C)CC1=CC(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C14H25NO/c1-13(2,3)8-11-7-12(16)10-15(9-11)14(4,5)6/h7H,8-10H2,1-6H3
InChIKeyOKCRLHATIHQNPU-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds1

About 1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one

1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one (PubChem CID 1415570) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one
PubChem CID1415570
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one
SMILESCC(C)(C)CC1=CC(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C14H25NO/c1-13(2,3)8-11-7-12(16)10-15(9-11)14(4,5)6/h7H,8-10H2,1-6H3
InChIKeyOKCRLHATIHQNPU-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one?
The IUPAC name of 1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one (CID 1415570) is 1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one is CC(C)(C)CC1=CC(=O)CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one?
The InChIKey is OKCRLHATIHQNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2,3)8-11-7-12(16)10-15(9-11)14(4,5)6/h7H,8-10H2,1-6H3.
What are the key properties of 1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one?
1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one has a molecular weight of 223.36 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(2,2-dimethylpropyl)-2,6-dihydropyridin-3-one is sourced from PubChem (CID 1415570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).