1-(1,2-dihydropyridin-4-yl)ethanone

C7H9NO — CID 5231768

IUPAC1-(1,2-dihydropyridin-4-yl)ethanone
SMILESCC(=O)C1=CCNC=C1
InChIInChI=1S/C7H9NO/c1-6(9)7-2-4-8-5-3-7/h2-4,8H,5H2,1H3
InChIKeyXNJSTNYJIJXZRL-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.62
Rot. Bonds1

About 1-(1,2-dihydropyridin-4-yl)ethanone

1-(1,2-dihydropyridin-4-yl)ethanone (PubChem CID 5231768) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-4-yl)ethanone
PubChem CID5231768
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-(1,2-dihydropyridin-4-yl)ethanone
SMILESCC(=O)C1=CCNC=C1
InChIInChI=1S/C7H9NO/c1-6(9)7-2-4-8-5-3-7/h2-4,8H,5H2,1H3
InChIKeyXNJSTNYJIJXZRL-UHFFFAOYSA-N
XLogP0.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetyl-1,2-dihydropyridin-2-one
CID 21453482
2-Hydroxy-5-acetylpyridine
CID 15882189
5-Ethyl-2-pyridinol
CID 19365871
2,3-Dimethyl-1,4-dihydropyridin-4-one
CID 21702749
Streptazone F
CID 71665794
5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one
CID 163061741
1-(1,2-Dihydro-3-pyridyl)ethan-1-one hydrochloride
CID 3020215
4-Ethylpyridin-2(1H)-one
CID 19378747
3-Benzazepine-7-ol
CID 67481290
5-Propionylpyridin-2(1H)-one
CID 89672899
Ethanone, 1-(1,2-dihydro-3-pyridinyl)-
CID 3020216
3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one
CID 10035174

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-4-yl)ethanone?
The IUPAC name of 1-(1,2-dihydropyridin-4-yl)ethanone (CID 5231768) is 1-(1,2-dihydropyridin-4-yl)ethanone.
What is the SMILES notation for 1-(1,2-dihydropyridin-4-yl)ethanone?
The canonical SMILES for 1-(1,2-dihydropyridin-4-yl)ethanone is CC(=O)C1=CCNC=C1.
What is the InChIKey of 1-(1,2-dihydropyridin-4-yl)ethanone?
The InChIKey is XNJSTNYJIJXZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6(9)7-2-4-8-5-3-7/h2-4,8H,5H2,1H3.
What are the key properties of 1-(1,2-dihydropyridin-4-yl)ethanone?
1-(1,2-dihydropyridin-4-yl)ethanone has a molecular weight of 123.15 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-4-yl)ethanone is sourced from PubChem (CID 5231768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).