12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one

C17H15NO2 — CID 100952357

IUPAC12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
SMILESO=C1c2ccccc2C2(CO)c3ccccc3CCN12
InChIInChI=1S/C17H15NO2/c19-11-17-14-7-3-1-5-12(14)9-10-18(17)16(20)13-6-2-4-8-15(13)17/h1-8,19H,9-11H2
InChIKeyIBFNKMUOOGLYCB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds1

About 12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one

12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one (PubChem CID 100952357) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one.

Molecular Properties

Compound Name12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
PubChem CID100952357
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
SMILESO=C1c2ccccc2C2(CO)c3ccccc3CCN12
InChIInChI=1S/C17H15NO2/c19-11-17-14-7-3-1-5-12(14)9-10-18(17)16(20)13-6-2-4-8-15(13)17/h1-8,19H,9-11H2
InChIKeyIBFNKMUOOGLYCB-UHFFFAOYSA-N
XLogP1.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione
CID 122228519
(1S)-1-phenyl-1-prop-2-enyl-3,4-dihydroisoquinoline-2-carboxylic acid
CID 67438482
2-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,4-dihydroisoquinolin-1-one
CID 104550776
3,3-bis(hydroxymethyl)-2-methylisoindol-1-one;ethane
CID 90770318
(13R,13aS)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxylic acid
CID 51659728
(1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 7344333
1-hydroperoxy-1,2-dimethyl-3,4-dihydroisoquinoline
CID 142046783
1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 21398427
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
(12bR)-12b-hydroxy-1,4-dimethoxy-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
CID 139190761
11b-hydroxy-1,3,4,5-tetrahydro-[1,4]selenazepino[3,4-a]isoindol-7-one
CID 156612535
1-(hydroxymethyl)-2-methyl-3-oxoisoindole-1-carboxylic acid
CID 67470150

Frequently Asked Questions

What is the IUPAC name of 12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one?
The IUPAC name of 12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one (CID 100952357) is 12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one.
What is the SMILES notation for 12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one?
The canonical SMILES for 12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one is O=C1c2ccccc2C2(CO)c3ccccc3CCN12.
What is the InChIKey of 12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one?
The InChIKey is IBFNKMUOOGLYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-11-17-14-7-3-1-5-12(14)9-10-18(17)16(20)13-6-2-4-8-15(13)17/h1-8,19H,9-11H2.
What are the key properties of 12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one?
12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one has a molecular weight of 265.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one is sourced from PubChem (CID 100952357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).