(2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one

C22H23NO2 — CID 101471304

IUPAC(2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one
SMILESO=C1c2ccccc2[C@H]2C[C@@](O)(c3ccccc3)C3(CCCCC3)N12
InChIInChI=1S/C22H23NO2/c24-20-18-12-6-5-11-17(18)19-15-22(25,16-9-3-1-4-10-16)21(23(19)20)13-7-2-8-14-21/h1,3-6,9-12,19,25H,2,7-8,13-15H2/t19-,22-/m1/s1
InChIKeyYMLGVIVCORTZAI-DENIHFKCSA-N
MW333.43 g/mol
LogP4.18
Rot. Bonds1

About (2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one

(2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one (PubChem CID 101471304) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one.

Molecular Properties

Compound Name(2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one
PubChem CID101471304
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one
SMILESO=C1c2ccccc2[C@H]2C[C@@](O)(c3ccccc3)C3(CCCCC3)N12
InChIInChI=1S/C22H23NO2/c24-20-18-12-6-5-11-17(18)19-15-22(25,16-9-3-1-4-10-16)21(23(19)20)13-7-2-8-14-21/h1,3-6,9-12,19,25H,2,7-8,13-15H2/t19-,22-/m1/s1
InChIKeyYMLGVIVCORTZAI-DENIHFKCSA-N
XLogP4.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.18
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-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one?
The IUPAC name of (2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one (CID 101471304) is (2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one.
What is the SMILES notation for (2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one?
The canonical SMILES for (2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one is O=C1c2ccccc2[C@H]2C[C@@](O)(c3ccccc3)C3(CCCCC3)N12.
What is the InChIKey of (2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one?
The InChIKey is YMLGVIVCORTZAI-DENIHFKCSA-N. The full InChI is InChI=1S/C22H23NO2/c24-20-18-12-6-5-11-17(18)19-15-22(25,16-9-3-1-4-10-16)21(23(19)20)13-7-2-8-14-21/h1,3-6,9-12,19,25H,2,7-8,13-15H2/t19-,22-/m1/s1.
What are the key properties of (2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one?
(2R,9bR)-2-hydroxy-2-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one has a molecular weight of 333.43 g/mol, XLogP of 4.18, 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-phenylspiro[1,9b-dihydropyrrolo[1,2-b]isoindole-3,1'-cyclohexane]-5-one is sourced from PubChem (CID 101471304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).