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

C11H11NO2 — CID 11137909

IUPAC9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(O)CCCN12
InChIInChI=1S/C11H11NO2/c13-10-8-4-1-2-5-9(8)11(14)6-3-7-12(10)11/h1-2,4-5,14H,3,6-7H2
InChIKeyAEEWRCLMCFNCEL-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.08
Rot. Bonds

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

9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one (PubChem CID 11137909) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
PubChem CID11137909
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(O)CCCN12
InChIInChI=1S/C11H11NO2/c13-10-8-4-1-2-5-9(8)11(14)6-3-7-12(10)11/h1-2,4-5,14H,3,6-7H2
InChIKeyAEEWRCLMCFNCEL-UHFFFAOYSA-N
XLogP1.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one (CID 11137909) is 9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one is O=C1c2ccccc2C2(O)CCCN12.
What is the InChIKey of 9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The InChIKey is AEEWRCLMCFNCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-8-4-1-2-5-9(8)11(14)6-3-7-12(10)11/h1-2,4-5,14H,3,6-7H2.
What are the key properties of 9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one is sourced from PubChem (CID 11137909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).