7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione

C11H9NO2 — CID 22918383

IUPAC7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc1c2CCC1
InChIInChI=1S/C11H9NO2/c13-10-8-5-4-6-2-1-3-7(6)9(8)11(14)12-10/h4-5H,1-3H2,(H,12,13,14)
InChIKeyZHYOCDAGFHASIF-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.06
Rot. Bonds

About 7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione

7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione (PubChem CID 22918383) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione.

Molecular Properties

Compound Name7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione
PubChem CID22918383
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc1c2CCC1
InChIInChI=1S/C11H9NO2/c13-10-8-5-4-6-2-1-3-7(6)9(8)11(14)12-10/h4-5H,1-3H2,(H,12,13,14)
InChIKeyZHYOCDAGFHASIF-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione?
The IUPAC name of 7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione (CID 22918383) is 7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione.
What is the SMILES notation for 7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione?
The canonical SMILES for 7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione is O=C1NC(=O)c2c1ccc1c2CCC1.
What is the InChIKey of 7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione?
The InChIKey is ZHYOCDAGFHASIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-10-8-5-4-6-2-1-3-7(6)9(8)11(14)12-10/h4-5H,1-3H2,(H,12,13,14).
What are the key properties of 7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione?
7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione has a molecular weight of 187.20 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-cyclopenta[e]isoindole-1,3-dione is sourced from PubChem (CID 22918383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).