1-[(2S)-1,2-dihydropyridin-2-yl]ethanone

C7H9NO — CID 93493769

IUPAC1-[(2S)-1,2-dihydropyridin-2-yl]ethanone
SMILESCC(=O)[C@@H]1C=CC=CN1
InChIInChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-5,7-8H,1H3/t7-/m0/s1
InChIKeyJEVRSDKDOJHMET-ZETCQYMHSA-N
MW123.15 g/mol
LogP0.62
Rot. Bonds1

About 1-[(2S)-1,2-dihydropyridin-2-yl]ethanone

1-[(2S)-1,2-dihydropyridin-2-yl]ethanone (PubChem CID 93493769) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-[(2S)-1,2-dihydropyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-1,2-dihydropyridin-2-yl]ethanone
PubChem CID93493769
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-[(2S)-1,2-dihydropyridin-2-yl]ethanone
SMILESCC(=O)[C@@H]1C=CC=CN1
InChIInChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-5,7-8H,1H3/t7-/m0/s1
InChIKeyJEVRSDKDOJHMET-ZETCQYMHSA-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

N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide
CID 88750442
1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone
CID 175373452
bis(1-cyclopenta-2,4-dien-1-ylethanone);iron
CID 176507815
(2R)-2-methyl-1,2-dihydropyridine
CID 154539310
1-(2,5-dihydro-1H-pyrrol-2-yl)ethanone
CID 12988591
1-[(1S,6R)-9-bicyclo[4.2.1]nona-2,4,7-trienyl]ethanone
CID 15577447
1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone
CID 89174396
1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one
CID 87460656
acetic acid;cyclohexa-3,5-diene-1,2-diol
CID 71339851
1,2-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-dione
CID 102577689
1-cyclopenta-2,4-dien-1-yl-3-methylbut-2-en-1-one
CID 15771385
1-(7-bicyclo[4.2.1]nona-2,4-dienyl)ethanone
CID 45086233

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,2-dihydropyridin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-1,2-dihydropyridin-2-yl]ethanone (CID 93493769) is 1-[(2S)-1,2-dihydropyridin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-1,2-dihydropyridin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-1,2-dihydropyridin-2-yl]ethanone is CC(=O)[C@@H]1C=CC=CN1.
What is the InChIKey of 1-[(2S)-1,2-dihydropyridin-2-yl]ethanone?
The InChIKey is JEVRSDKDOJHMET-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-5,7-8H,1H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-1,2-dihydropyridin-2-yl]ethanone?
1-[(2S)-1,2-dihydropyridin-2-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-[(2S)-1,2-dihydropyridin-2-yl]ethanone is sourced from PubChem (CID 93493769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).