3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one

C13H23NO — CID 90224690

IUPAC3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one
SMILESCC(C)(C)C1C=CNC(=O)C1C(C)(C)C
InChIInChI=1S/C13H23NO/c1-12(2,3)9-7-8-14-11(15)10(9)13(4,5)6/h7-10H,1-6H3,(H,14,15)
InChIKeyFQILYGFDHSKQPD-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.95
Rot. Bonds

About 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one

3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 90224690) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one
PubChem CID90224690
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one
SMILESCC(C)(C)C1C=CNC(=O)C1C(C)(C)C
InChIInChI=1S/C13H23NO/c1-12(2,3)9-7-8-14-11(15)10(9)13(4,5)6/h7-10H,1-6H3,(H,14,15)
InChIKeyFQILYGFDHSKQPD-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one (CID 90224690) is 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one is CC(C)(C)C1C=CNC(=O)C1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is FQILYGFDHSKQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2,3)9-7-8-14-11(15)10(9)13(4,5)6/h7-10H,1-6H3,(H,14,15).
What are the key properties of 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one?
3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 90224690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).