(2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one

C23H19NO2 — CID 101471305

IUPAC(2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one
SMILESO=C1c2ccccc2[C@H]2C[C@@](O)(c3ccccc3)[C@H](c3ccccc3)N12
InChIInChI=1S/C23H19NO2/c25-22-19-14-8-7-13-18(19)20-15-23(26,17-11-5-2-6-12-17)21(24(20)22)16-9-3-1-4-10-16/h1-14,20-21,26H,15H2/t20-,21+,23-/m1/s1
InChIKeyLHVHACUVIWKYHN-FUPPJEDESA-N
MW341.41 g/mol
LogP4.22
Rot. Bonds2

About (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one

(2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one (PubChem CID 101471305) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one.

Molecular Properties

Compound Name(2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one
PubChem CID101471305
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one
SMILESO=C1c2ccccc2[C@H]2C[C@@](O)(c3ccccc3)[C@H](c3ccccc3)N12
InChIInChI=1S/C23H19NO2/c25-22-19-14-8-7-13-18(19)20-15-23(26,17-11-5-2-6-12-17)21(24(20)22)16-9-3-1-4-10-16/h1-14,20-21,26H,15H2/t20-,21+,23-/m1/s1
InChIKeyLHVHACUVIWKYHN-FUPPJEDESA-N
XLogP4.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
The IUPAC name of (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one (CID 101471305) is (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one.
What is the SMILES notation for (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
The canonical SMILES for (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one is O=C1c2ccccc2[C@H]2C[C@@](O)(c3ccccc3)[C@H](c3ccccc3)N12.
What is the InChIKey of (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
The InChIKey is LHVHACUVIWKYHN-FUPPJEDESA-N. The full InChI is InChI=1S/C23H19NO2/c25-22-19-14-8-7-13-18(19)20-15-23(26,17-11-5-2-6-12-17)21(24(20)22)16-9-3-1-4-10-16/h1-14,20-21,26H,15H2/t20-,21+,23-/m1/s1.
What are the key properties of (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
(2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one has a molecular weight of 341.41 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,9bR)-2-hydroxy-2,3-diphenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one is sourced from PubChem (CID 101471305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).