1-(2,3-dihydropyridin-3-yl)ethanone

C7H9NO — CID 57313014

IUPAC1-(2,3-dihydropyridin-3-yl)ethanone
SMILESCC(=O)C1C=CC=NC1
InChIInChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-4,7H,5H2,1H3
InChIKeyWIXYREIVRNLDGX-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.83
Rot. Bonds1

About 1-(2,3-dihydropyridin-3-yl)ethanone

1-(2,3-dihydropyridin-3-yl)ethanone (PubChem CID 57313014) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-3-yl)ethanone
PubChem CID57313014
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-(2,3-dihydropyridin-3-yl)ethanone
SMILESCC(=O)C1C=CC=NC1
InChIInChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-4,7H,5H2,1H3
InChIKeyWIXYREIVRNLDGX-UHFFFAOYSA-N
XLogP0.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-Methyl-2,3-dihydropyridin-3-yl)ethanone
CID 89224171
(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one
CID 91524353
6-Methyliminohex-4-en-2-one
CID 123302516
1-(2,3-Dihydropyridin-3-yl)-2,2-dimethylpropan-1-one
CID 147324643
1-(3-Ethyl-2,3-dihydropyridin-6-yl)ethanone
CID 163775913
3-acetyl-3H-pyridin-2-one
CID 77520221
3-ethyl-3H-pyridin-2-one
CID 85438676
1-(3-methyl-2H-pyridin-3-yl)ethanone
CID 142151840

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-3-yl)ethanone?
The IUPAC name of 1-(2,3-dihydropyridin-3-yl)ethanone (CID 57313014) is 1-(2,3-dihydropyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydropyridin-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydropyridin-3-yl)ethanone is CC(=O)C1C=CC=NC1.
What is the InChIKey of 1-(2,3-dihydropyridin-3-yl)ethanone?
The InChIKey is WIXYREIVRNLDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-4,7H,5H2,1H3.
What are the key properties of 1-(2,3-dihydropyridin-3-yl)ethanone?
1-(2,3-dihydropyridin-3-yl)ethanone has a molecular weight of 123.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-3-yl)ethanone is sourced from PubChem (CID 57313014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).