2,2,4-trimethyl-1,3-dihydropyridin-6-one

C8H13NO — CID 15357510

IUPAC2,2,4-trimethyl-1,3-dihydropyridin-6-one
SMILESCC1=CC(=O)NC(C)(C)C1
InChIInChI=1S/C8H13NO/c1-6-4-7(10)9-8(2,3)5-6/h4H,5H2,1-3H3,(H,9,10)
InChIKeyBTFPEDCOAZXSCZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds

About 2,2,4-trimethyl-1,3-dihydropyridin-6-one

2,2,4-trimethyl-1,3-dihydropyridin-6-one (PubChem CID 15357510) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name2,2,4-trimethyl-1,3-dihydropyridin-6-one
PubChem CID15357510
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2,2,4-trimethyl-1,3-dihydropyridin-6-one
SMILESCC1=CC(=O)NC(C)(C)C1
InChIInChI=1S/C8H13NO/c1-6-4-7(10)9-8(2,3)5-6/h4H,5H2,1-3H3,(H,9,10)
InChIKeyBTFPEDCOAZXSCZ-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,3-dihydropyridin-6-one?
The IUPAC name of 2,2,4-trimethyl-1,3-dihydropyridin-6-one (CID 15357510) is 2,2,4-trimethyl-1,3-dihydropyridin-6-one.
What is the SMILES notation for 2,2,4-trimethyl-1,3-dihydropyridin-6-one?
The canonical SMILES for 2,2,4-trimethyl-1,3-dihydropyridin-6-one is CC1=CC(=O)NC(C)(C)C1.
What is the InChIKey of 2,2,4-trimethyl-1,3-dihydropyridin-6-one?
The InChIKey is BTFPEDCOAZXSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-7(10)9-8(2,3)5-6/h4H,5H2,1-3H3,(H,9,10).
What are the key properties of 2,2,4-trimethyl-1,3-dihydropyridin-6-one?
2,2,4-trimethyl-1,3-dihydropyridin-6-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 15357510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).