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

C12H13NO2 — CID 134830954

IUPAC(2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one
SMILESC[C@@]1(O)C[C@@H]2c3ccccc3C(=O)N2C1
InChIInChI=1S/C12H13NO2/c1-12(15)6-10-8-4-2-3-5-9(8)11(14)13(10)7-12/h2-5,10,15H,6-7H2,1H3/t10-,12-/m1/s1
InChIKeyDVHRSCGKPUBPED-ZYHUDNBSSA-N
MW203.24 g/mol
LogP1.34
Rot. Bonds

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

(2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one (PubChem CID 134830954) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one.

Molecular Properties

Compound Name(2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one
PubChem CID134830954
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one
SMILESC[C@@]1(O)C[C@@H]2c3ccccc3C(=O)N2C1
InChIInChI=1S/C12H13NO2/c1-12(15)6-10-8-4-2-3-5-9(8)11(14)13(10)7-12/h2-5,10,15H,6-7H2,1H3/t10-,12-/m1/s1
InChIKeyDVHRSCGKPUBPED-ZYHUDNBSSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.34
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-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
The IUPAC name of (2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one (CID 134830954) is (2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one.
What is the SMILES notation for (2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
The canonical SMILES for (2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one is C[C@@]1(O)C[C@@H]2c3ccccc3C(=O)N2C1.
What is the InChIKey of (2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
The InChIKey is DVHRSCGKPUBPED-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(15)6-10-8-4-2-3-5-9(8)11(14)13(10)7-12/h2-5,10,15H,6-7H2,1H3/t10-,12-/m1/s1.
What are the key properties of (2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one?
(2R,9bR)-2-hydroxy-2-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one has a molecular weight of 203.24 g/mol, XLogP of 1.34, 0 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-methyl-3,9b-dihydro-1H-pyrrolo[1,2-b]isoindol-5-one is sourced from PubChem (CID 134830954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).