4,5-dimethyl-3H-pyridin-6-one

C7H9NO — CID 90455641

IUPAC4,5-dimethyl-3H-pyridin-6-one
SMILESCC1=C(C)C(=O)N=CC1
InChIInChI=1S/C7H9NO/c1-5-3-4-8-7(9)6(5)2/h4H,3H2,1-2H3
InChIKeyIUOUQNXSICWQCT-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.32
Rot. Bonds

About 4,5-dimethyl-3H-pyridin-6-one

4,5-dimethyl-3H-pyridin-6-one (PubChem CID 90455641) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4,5-dimethyl-3H-pyridin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-3H-pyridin-6-one
PubChem CID90455641
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4,5-dimethyl-3H-pyridin-6-one
SMILESCC1=C(C)C(=O)N=CC1
InChIInChI=1S/C7H9NO/c1-5-3-4-8-7(9)6(5)2/h4H,3H2,1-2H3
InChIKeyIUOUQNXSICWQCT-UHFFFAOYSA-N
XLogP1.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3H-pyridin-6-one?
The IUPAC name of 4,5-dimethyl-3H-pyridin-6-one (CID 90455641) is 4,5-dimethyl-3H-pyridin-6-one.
What is the SMILES notation for 4,5-dimethyl-3H-pyridin-6-one?
The canonical SMILES for 4,5-dimethyl-3H-pyridin-6-one is CC1=C(C)C(=O)N=CC1.
What is the InChIKey of 4,5-dimethyl-3H-pyridin-6-one?
The InChIKey is IUOUQNXSICWQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-3-4-8-7(9)6(5)2/h4H,3H2,1-2H3.
What are the key properties of 4,5-dimethyl-3H-pyridin-6-one?
4,5-dimethyl-3H-pyridin-6-one has a molecular weight of 123.15 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3H-pyridin-6-one is sourced from PubChem (CID 90455641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).