1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone

C11H13NO2 — CID 16769566

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCc2ccccc2C1
InChIInChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2
InChIKeyGAWPDYDIDUAIGZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.56
Rot. Bonds1

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone (PubChem CID 16769566) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
PubChem CID16769566
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCc2ccccc2C1
InChIInChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2
InChIKeyGAWPDYDIDUAIGZ-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 27396946
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 68786097
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108944341
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfanylethanone
CID 66494888
(2R)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 83194342
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] benzoate
CID 2365522
2-(benzhydrylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 8005837
4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanenitrile
CID 82113579
3-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-1-one
CID 11492360
3-(tert-butylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 60851992

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone (CID 16769566) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone is O=C(CO)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone?
The InChIKey is GAWPDYDIDUAIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone has a molecular weight of 191.23 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone is sourced from PubChem (CID 16769566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).