1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one

C17H15NO2 — CID 576510

IUPAC1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one
SMILESO=C1CC(O)(c2ccccc2)C2c3ccccc3CN12
InChIInChI=1S/C17H15NO2/c19-15-10-17(20,13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)11-18(15)16/h1-9,16,20H,10-11H2
InChIKeyRTGFEOFVILIRQO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.36
Rot. Bonds1

About 1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one

1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one (PubChem CID 576510) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one.

Molecular Properties

Compound Name1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one
PubChem CID576510
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one
SMILESO=C1CC(O)(c2ccccc2)C2c3ccccc3CN12
InChIInChI=1S/C17H15NO2/c19-15-10-17(20,13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)11-18(15)16/h1-9,16,20H,10-11H2
InChIKeyRTGFEOFVILIRQO-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one
CID 125489087
(1R,2R)-1-methyl-2-phenyl-1,3-dihydroinden-2-ol
CID 14449205
(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
CID 138485256
(1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
CID 138485254
5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one
CID 544551
1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one
CID 83817792
(2R,3R,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one
CID 92842685
(2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one
CID 98160666
(11bR)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
CID 56956909
(1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
CID 98477563
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one
CID 11849900
1-chloro-1,3-dihydroisoindole-2-carboxylic acid
CID 68724878

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one?
The IUPAC name of 1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one (CID 576510) is 1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one.
What is the SMILES notation for 1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one?
The canonical SMILES for 1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one is O=C1CC(O)(c2ccccc2)C2c3ccccc3CN12.
What is the InChIKey of 1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one?
The InChIKey is RTGFEOFVILIRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-15-10-17(20,13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)11-18(15)16/h1-9,16,20H,10-11H2.
What are the key properties of 1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one?
1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one has a molecular weight of 265.31 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one is sourced from PubChem (CID 576510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).