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

C11H11NO — CID 89066628

IUPAC1-(2,3-dihydroquinolin-2-yl)ethanone
SMILESCC(=O)C1CC=c2ccccc2=N1
InChIInChI=1S/C11H11NO/c1-8(13)10-7-6-9-4-2-3-5-11(9)12-10/h2-6,10H,7H2,1H3
InChIKeyUVBXXSSYOHCHNZ-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.45
Rot. Bonds1

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

1-(2,3-dihydroquinolin-2-yl)ethanone (PubChem CID 89066628) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(2,3-dihydroquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroquinolin-2-yl)ethanone
PubChem CID89066628
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1-(2,3-dihydroquinolin-2-yl)ethanone
SMILESCC(=O)C1CC=c2ccccc2=N1
InChIInChI=1S/C11H11NO/c1-8(13)10-7-6-9-4-2-3-5-11(9)12-10/h2-6,10H,7H2,1H3
InChIKeyUVBXXSSYOHCHNZ-UHFFFAOYSA-N
XLogP0.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroquinolin-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroquinolin-2-yl)ethanone (CID 89066628) is 1-(2,3-dihydroquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroquinolin-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroquinolin-2-yl)ethanone is CC(=O)C1CC=c2ccccc2=N1.
What is the InChIKey of 1-(2,3-dihydroquinolin-2-yl)ethanone?
The InChIKey is UVBXXSSYOHCHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8(13)10-7-6-9-4-2-3-5-11(9)12-10/h2-6,10H,7H2,1H3.
What are the key properties of 1-(2,3-dihydroquinolin-2-yl)ethanone?
1-(2,3-dihydroquinolin-2-yl)ethanone has a molecular weight of 173.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroquinolin-2-yl)ethanone is sourced from PubChem (CID 89066628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).