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

C17H15NO2 — CID 101471301

IUPAC(2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one
SMILESO=C1c2ccccc2[C@H]2C[C@@](O)(c3ccccc3)CN12
InChIInChI=1S/C17H15NO2/c19-16-14-9-5-4-8-13(14)15-10-17(20,11-18(15)16)12-6-2-1-3-7-12/h1-9,15,20H,10-11H2/t15-,17+/m1/s1
InChIKeyNOMMYZFRJXDRDI-WBVHZDCISA-N
MW265.31 g/mol
LogP2.47
Rot. Bonds1

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

(2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one (PubChem CID 101471301) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one.

Molecular Properties

Compound Name(2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one
PubChem CID101471301
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one
SMILESO=C1c2ccccc2[C@H]2C[C@@](O)(c3ccccc3)CN12
InChIInChI=1S/C17H15NO2/c19-16-14-9-5-4-8-13(14)15-10-17(20,11-18(15)16)12-6-2-1-3-7-12/h1-9,15,20H,10-11H2/t15-,17+/m1/s1
InChIKeyNOMMYZFRJXDRDI-WBVHZDCISA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
The IUPAC name of (2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one (CID 101471301) is (2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one.
What is the SMILES notation for (2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
The canonical SMILES for (2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one is O=C1c2ccccc2[C@H]2C[C@@](O)(c3ccccc3)CN12.
What is the InChIKey of (2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
The InChIKey is NOMMYZFRJXDRDI-WBVHZDCISA-N. The full InChI is InChI=1S/C17H15NO2/c19-16-14-9-5-4-8-13(14)15-10-17(20,11-18(15)16)12-6-2-1-3-7-12/h1-9,15,20H,10-11H2/t15-,17+/m1/s1.
What are the key properties of (2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
(2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one has a molecular weight of 265.31 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,9bR)-2-hydroxy-2-phenyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one is sourced from PubChem (CID 101471301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).