5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one

C7H11NO — CID 45092793

IUPAC5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one
SMILESCC1=NC(=O)CCC1C
InChIInChI=1S/C7H11NO/c1-5-3-4-7(9)8-6(5)2/h5H,3-4H2,1-2H3
InChIKeyCVWWOYFORJITKE-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.40
Rot. Bonds

About 5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one

5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one (PubChem CID 45092793) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one
PubChem CID45092793
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one
SMILESCC1=NC(=O)CCC1C
InChIInChI=1S/C7H11NO/c1-5-3-4-7(9)8-6(5)2/h5H,3-4H2,1-2H3
InChIKeyCVWWOYFORJITKE-UHFFFAOYSA-N
XLogP1.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one (CID 45092793) is 5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one is CC1=NC(=O)CCC1C.
What is the InChIKey of 5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one?
The InChIKey is CVWWOYFORJITKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-4-7(9)8-6(5)2/h5H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one?
5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4,5-dihydro-3H-pyridin-2-one is sourced from PubChem (CID 45092793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).