2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one

C7H11NO — CID 12007567

IUPAC2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=CCC(C)NC1=O
InChIInChI=1S/C7H11NO/c1-5-3-4-6(2)8-7(5)9/h3,6H,4H2,1-2H3,(H,8,9)
InChIKeyXJTYAZNENBDKFY-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds

About 2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one

2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 12007567) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID12007567
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=CCC(C)NC1=O
InChIInChI=1S/C7H11NO/c1-5-3-4-6(2)8-7(5)9/h3,6H,4H2,1-2H3,(H,8,9)
InChIKeyXJTYAZNENBDKFY-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one (CID 12007567) is 2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one is CC1=CCC(C)NC1=O.
What is the InChIKey of 2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is XJTYAZNENBDKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-4-6(2)8-7(5)9/h3,6H,4H2,1-2H3,(H,8,9).
What are the key properties of 2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one?
2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 12007567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).