2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione

C14H13NO3 — CID 134465551

IUPAC2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1C[C@H]2C[C@H]2[C@H]1O
InChIInChI=1S/C14H13NO3/c16-12-10-5-7(10)6-11(12)15-13(17)8-3-1-2-4-9(8)14(15)18/h1-4,7,10-12,16H,5-6H2/t7-,10-,11-,12-/m1/s1
InChIKeyNZIOEANLQADHNX-FAQVLOEFSA-N
MW243.26 g/mol
LogP1.05
Rot. Bonds1

About 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione

2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione (PubChem CID 134465551) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione
PubChem CID134465551
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1C[C@H]2C[C@H]2[C@H]1O
InChIInChI=1S/C14H13NO3/c16-12-10-5-7(10)6-11(12)15-13(17)8-3-1-2-4-9(8)14(15)18/h1-4,7,10-12,16H,5-6H2/t7-,10-,11-,12-/m1/s1
InChIKeyNZIOEANLQADHNX-FAQVLOEFSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione
CID 175743610
2-[(1R,2R,6S)-2-bicyclo[4.1.0]heptanyl]isoindole-1,3-dione
CID 102049318
2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione
CID 57333815
2-[(1R,2R,3S,4R,5R,6R,7S)-3,4,5,6-tetrahydroxy-2-bicyclo[5.1.0]octanyl]isoindole-1,3-dione
CID 122389302
2-[(1S,2S,7R)-3,4,5,6-tetrahydroxy-2-bicyclo[5.1.0]octanyl]isoindole-1,3-dione
CID 11186237
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione
CID 118387975
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 1296952
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 11906128
2-[(1S,2R,3S,5S)-3-amino-2-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione;2-[(1S,2S,3S,5S)-3-methyl-2-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione
CID 158891815
2-[(1R,2R)-2-hydroxy-5-oxocyclohex-3-en-1-yl]isoindole-1,3-dione
CID 46914397
2-[2-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]-1,3-dioxan-5-yl]isoindole-1,3-dione
CID 166323787

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione (CID 134465551) is 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@@H]1C[C@H]2C[C@H]2[C@H]1O.
What is the InChIKey of 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione?
The InChIKey is NZIOEANLQADHNX-FAQVLOEFSA-N. The full InChI is InChI=1S/C14H13NO3/c16-12-10-5-7(10)6-11(12)15-13(17)8-3-1-2-4-9(8)14(15)18/h1-4,7,10-12,16H,5-6H2/t7-,10-,11-,12-/m1/s1.
What are the key properties of 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione?
2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione has a molecular weight of 243.26 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione is sourced from PubChem (CID 134465551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).