2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione

C15H13NO2 — CID 22573145

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CC2C=CC1C2
InChIInChI=1S/C15H13NO2/c17-14-11-3-1-2-4-12(11)15(18)16(14)13-8-9-5-6-10(13)7-9/h1-6,9-10,13H,7-8H2
InChIKeySERGYASKODCIPR-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.25
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione

2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione (PubChem CID 22573145) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione
PubChem CID22573145
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CC2C=CC1C2
InChIInChI=1S/C15H13NO2/c17-14-11-3-1-2-4-12(11)15(18)16(14)13-8-9-5-6-10(13)7-9/h1-6,9-10,13H,7-8H2
InChIKeySERGYASKODCIPR-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione (CID 22573145) is 2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione?
The InChIKey is SERGYASKODCIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-14-11-3-1-2-4-12(11)15(18)16(14)13-8-9-5-6-10(13)7-9/h1-6,9-10,13H,7-8H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione?
2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione has a molecular weight of 239.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione is sourced from PubChem (CID 22573145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).