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

C14H17NO2 — CID 134856696

IUPAC(2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one
SMILESCC1(C)N2C(=O)c3ccccc3[C@H]2C[C@@]1(C)O
InChIInChI=1S/C14H17NO2/c1-13(2)14(3,17)8-11-9-6-4-5-7-10(9)12(16)15(11)13/h4-7,11,17H,8H2,1-3H3/t11-,14-/m1/s1
InChIKeyHKRZLXSWYKJNJF-BXUZGUMPSA-N
MW231.29 g/mol
LogP2.12
Rot. Bonds

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

(2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one (PubChem CID 134856696) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one.

Molecular Properties

Compound Name(2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one
PubChem CID134856696
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one
SMILESCC1(C)N2C(=O)c3ccccc3[C@H]2C[C@@]1(C)O
InChIInChI=1S/C14H17NO2/c1-13(2)14(3,17)8-11-9-6-4-5-7-10(9)12(16)15(11)13/h4-7,11,17H,8H2,1-3H3/t11-,14-/m1/s1
InChIKeyHKRZLXSWYKJNJF-BXUZGUMPSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[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,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one?
The IUPAC name of (2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one (CID 134856696) is (2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one.
What is the SMILES notation for (2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one?
The canonical SMILES for (2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one is CC1(C)N2C(=O)c3ccccc3[C@H]2C[C@@]1(C)O.
What is the InChIKey of (2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one?
The InChIKey is HKRZLXSWYKJNJF-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H17NO2/c1-13(2)14(3,17)8-11-9-6-4-5-7-10(9)12(16)15(11)13/h4-7,11,17H,8H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one?
(2R,9bR)-2-hydroxy-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one has a molecular weight of 231.29 g/mol, XLogP of 2.12, 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-2,3,3-trimethyl-1,9b-dihydropyrrolo[1,2-b]isoindol-5-one is sourced from PubChem (CID 134856696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).