1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone

C9H13NO — CID 123840164

IUPAC1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone
SMILESCC(=O)C1=C(C)CC(C)=NC1
InChIInChI=1S/C9H13NO/c1-6-4-7(2)10-5-9(6)8(3)11/h4-5H2,1-3H3
InChIKeyYRBFUWLYBUFXPJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.76
Rot. Bonds1

About 1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone

1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone (PubChem CID 123840164) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone
PubChem CID123840164
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone
SMILESCC(=O)C1=C(C)CC(C)=NC1
InChIInChI=1S/C9H13NO/c1-6-4-7(2)10-5-9(6)8(3)11/h4-5H2,1-3H3
InChIKeyYRBFUWLYBUFXPJ-UHFFFAOYSA-N
XLogP1.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20652899
3,4,6-Trimethylpyridine-2,5-dione
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2,3,5,6-Tetramethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 22979279
1-(3,5-dimethyl-2H-pyrrol-4-yl)ethanone
CID 97298650
5,6-dimethyl-3-methylidene-7-prop-1-en-2-yl-2H-azepin-4-one
CID 170078079
1-(4,5-dimethyl-2H-pyrrol-3-yl)ethanone
CID 174484478
1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone
CID 174508740
2,3,5,6-Tetramethyl-4-(propan-2-ylideneamino)cyclohexa-2,5-dien-1-one
CID 299193

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone?
The IUPAC name of 1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone (CID 123840164) is 1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone.
What is the SMILES notation for 1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone?
The canonical SMILES for 1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone is CC(=O)C1=C(C)CC(C)=NC1.
What is the InChIKey of 1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone?
The InChIKey is YRBFUWLYBUFXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-4-7(2)10-5-9(6)8(3)11/h4-5H2,1-3H3.
What are the key properties of 1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone?
1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2,5-dihydropyridin-3-yl)ethanone is sourced from PubChem (CID 123840164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).