1,4,5-trimethyl-2,3-dihydropyridin-6-one

C8H13NO — CID 15981614

IUPAC1,4,5-trimethyl-2,3-dihydropyridin-6-one
SMILESCC1=C(C)C(=O)N(C)CC1
InChIInChI=1S/C8H13NO/c1-6-4-5-9(3)8(10)7(6)2/h4-5H2,1-3H3
InChIKeyHYGBNBUMMLHTCK-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds

About 1,4,5-trimethyl-2,3-dihydropyridin-6-one

1,4,5-trimethyl-2,3-dihydropyridin-6-one (PubChem CID 15981614) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,4,5-trimethyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1,4,5-trimethyl-2,3-dihydropyridin-6-one
PubChem CID15981614
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1,4,5-trimethyl-2,3-dihydropyridin-6-one
SMILESCC1=C(C)C(=O)N(C)CC1
InChIInChI=1S/C8H13NO/c1-6-4-5-9(3)8(10)7(6)2/h4-5H2,1-3H3
InChIKeyHYGBNBUMMLHTCK-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1,4,5-trimethyl-2,3-dihydropyridin-6-one (CID 15981614) is 1,4,5-trimethyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1,4,5-trimethyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1,4,5-trimethyl-2,3-dihydropyridin-6-one is CC1=C(C)C(=O)N(C)CC1.
What is the InChIKey of 1,4,5-trimethyl-2,3-dihydropyridin-6-one?
The InChIKey is HYGBNBUMMLHTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-5-9(3)8(10)7(6)2/h4-5H2,1-3H3.
What are the key properties of 1,4,5-trimethyl-2,3-dihydropyridin-6-one?
1,4,5-trimethyl-2,3-dihydropyridin-6-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 15981614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).