4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one

C7H11NO — CID 45092779

IUPAC4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=C(C)C(=O)NCC1
InChIInChI=1S/C7H11NO/c1-5-3-4-8-7(9)6(5)2/h3-4H2,1-2H3,(H,8,9)
InChIKeyJBAKYSYMLOOBRK-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds

About 4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one

4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 45092779) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID45092779
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=C(C)C(=O)NCC1
InChIInChI=1S/C7H11NO/c1-5-3-4-8-7(9)6(5)2/h3-4H2,1-2H3,(H,8,9)
InChIKeyJBAKYSYMLOOBRK-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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Related Compounds

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CID 5325838
3,4-Diethyl-1,5-dihydro-2H-pyrrol-2-one
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4-Methyl-1,2,5,6-tetrahydropyridin-2-one
CID 11320921
3,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
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4-Ethyl-3-pyrrolin-2-on
CID 14121451
3,4,6-Trimethyl-5,6-dihydropyridin-2(1h)-one
CID 55286326
1,4,5-Trimethyl-2,3-dihydropyridin-6-one
CID 15981614
5-Ethyl-3,6-dihydropyridin-2(1h)-one
CID 55288091
(2Z)-N-butyl-2-methylhexa-2,5-dienamide
CID 176433790
4,5-Dimethyl-1,3,6,7-tetrahydro-azepin-2-one
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CID 10749180

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one (CID 45092779) is 4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one is CC1=C(C)C(=O)NCC1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is JBAKYSYMLOOBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-4-8-7(9)6(5)2/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one?
4,5-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 4,5-dimethyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 45092779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).