(2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one

C19H19NO2 — CID 101471303

IUPAC(2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one
SMILESCC1(C)N2C(=O)c3ccccc3[C@H]2C[C@@]1(O)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-18(2)19(22,13-8-4-3-5-9-13)12-16-14-10-6-7-11-15(14)17(21)20(16)18/h3-11,16,22H,12H2,1-2H3/t16-,19-/m1/s1
InChIKeyADFIJXFHZXFVGA-VQIMIIECSA-N
MW293.37 g/mol
LogP3.25
Rot. Bonds1

About (2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one

(2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one (PubChem CID 101471303) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one.

Molecular Properties

Compound Name(2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one
PubChem CID101471303
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one
SMILESCC1(C)N2C(=O)c3ccccc3[C@H]2C[C@@]1(O)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-18(2)19(22,13-8-4-3-5-9-13)12-16-14-10-6-7-11-15(14)17(21)20(16)18/h3-11,16,22H,12H2,1-2H3/t16-,19-/m1/s1
InChIKeyADFIJXFHZXFVGA-VQIMIIECSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.25
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-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one?
The IUPAC name of (2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one (CID 101471303) is (2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one.
What is the SMILES notation for (2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one?
The canonical SMILES for (2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one is CC1(C)N2C(=O)c3ccccc3[C@H]2C[C@@]1(O)c1ccccc1.
What is the InChIKey of (2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one?
The InChIKey is ADFIJXFHZXFVGA-VQIMIIECSA-N. The full InChI is InChI=1S/C19H19NO2/c1-18(2)19(22,13-8-4-3-5-9-13)12-16-14-10-6-7-11-15(14)17(21)20(16)18/h3-11,16,22H,12H2,1-2H3/t16-,19-/m1/s1.
What are the key properties of (2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one?
(2R,9bR)-2-hydroxy-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one has a molecular weight of 293.37 g/mol, XLogP of 3.25, 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-3,3-dimethyl-2-phenyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one is sourced from PubChem (CID 101471303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).