2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione

C15H15NO3 — CID 175743610

IUPAC2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CC2CC(O)C1C2
InChIInChI=1S/C15H15NO3/c17-13-7-8-5-11(13)12(6-8)16-14(18)9-3-1-2-4-10(9)15(16)19/h1-4,8,11-13,17H,5-7H2
InChIKeyGKFSGMSQSWOFKF-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.44
Rot. Bonds1

About 2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione

2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione (PubChem CID 175743610) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione
PubChem CID175743610
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CC2CC(O)C1C2
InChIInChI=1S/C15H15NO3/c17-13-7-8-5-11(13)12(6-8)16-14(18)9-3-1-2-4-10(9)15(16)19/h1-4,8,11-13,17H,5-7H2
InChIKeyGKFSGMSQSWOFKF-UHFFFAOYSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione
CID 57333815
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-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione
CID 134465551
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
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-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione
CID 118387975
2-[(1S,2S,7R)-3,4,5,6-tetrahydroxy-2-bicyclo[5.1.0]octanyl]isoindole-1,3-dione
CID 11186237
2-[(1R)-2-phenylcyclopentyl]isoindole-1,3-dione
CID 142191199
2-[(1R,2R,6S)-2-bicyclo[4.1.0]heptanyl]isoindole-1,3-dione
CID 102049318
2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione
CID 155143259
2-[(1R,2R)-2-hydroxy-5-oxocyclohex-3-en-1-yl]isoindole-1,3-dione
CID 46914397

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione?
The IUPAC name of 2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione (CID 175743610) is 2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione?
The canonical SMILES for 2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CC2CC(O)C1C2.
What is the InChIKey of 2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione?
The InChIKey is GKFSGMSQSWOFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-13-7-8-5-11(13)12(6-8)16-14(18)9-3-1-2-4-10(9)15(16)19/h1-4,8,11-13,17H,5-7H2.
What are the key properties of 2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione?
2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione has a molecular weight of 257.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione is sourced from PubChem (CID 175743610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).