3,6,6-trimethyl-1,2-dihydropyridin-5-one

C8H13NO — CID 1415571

IUPAC3,6,6-trimethyl-1,2-dihydropyridin-5-one
SMILESCC1=CC(=O)C(C)(C)NC1
InChIInChI=1S/C8H13NO/c1-6-4-7(10)8(2,3)9-5-6/h4,9H,5H2,1-3H3
InChIKeySKNFWIOLLHPFOP-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.88
Rot. Bonds

About 3,6,6-trimethyl-1,2-dihydropyridin-5-one

3,6,6-trimethyl-1,2-dihydropyridin-5-one (PubChem CID 1415571) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3,6,6-trimethyl-1,2-dihydropyridin-5-one.

Molecular Properties

Compound Name3,6,6-trimethyl-1,2-dihydropyridin-5-one
PubChem CID1415571
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3,6,6-trimethyl-1,2-dihydropyridin-5-one
SMILESCC1=CC(=O)C(C)(C)NC1
InChIInChI=1S/C8H13NO/c1-6-4-7(10)8(2,3)9-5-6/h4,9H,5H2,1-3H3
InChIKeySKNFWIOLLHPFOP-UHFFFAOYSA-N
XLogP0.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1,2-dihydropyridin-5-one?
The IUPAC name of 3,6,6-trimethyl-1,2-dihydropyridin-5-one (CID 1415571) is 3,6,6-trimethyl-1,2-dihydropyridin-5-one.
What is the SMILES notation for 3,6,6-trimethyl-1,2-dihydropyridin-5-one?
The canonical SMILES for 3,6,6-trimethyl-1,2-dihydropyridin-5-one is CC1=CC(=O)C(C)(C)NC1.
What is the InChIKey of 3,6,6-trimethyl-1,2-dihydropyridin-5-one?
The InChIKey is SKNFWIOLLHPFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-7(10)8(2,3)9-5-6/h4,9H,5H2,1-3H3.
What are the key properties of 3,6,6-trimethyl-1,2-dihydropyridin-5-one?
3,6,6-trimethyl-1,2-dihydropyridin-5-one has a molecular weight of 139.20 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1,2-dihydropyridin-5-one is sourced from PubChem (CID 1415571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).