2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione

C18H13NO2 — CID 70096354

IUPAC2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione
SMILESO=C1c2cc3c(cc2C(=O)N1Cc1ccccc1)CC=C3
InChIInChI=1S/C18H13NO2/c20-17-15-9-13-7-4-8-14(13)10-16(15)18(21)19(17)11-12-5-2-1-3-6-12/h1-7,9-10H,8,11H2
InChIKeyMOLYWZDJJQRHCD-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.05
Rot. Bonds2

About 2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione

2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione (PubChem CID 70096354) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione
PubChem CID70096354
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione
SMILESO=C1c2cc3c(cc2C(=O)N1Cc1ccccc1)CC=C3
InChIInChI=1S/C18H13NO2/c20-17-15-9-13-7-4-8-14(13)10-16(15)18(21)19(17)11-12-5-2-1-3-6-12/h1-7,9-10H,8,11H2
InChIKeyMOLYWZDJJQRHCD-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
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 2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione?
The IUPAC name of 2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione (CID 70096354) is 2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione.
What is the SMILES notation for 2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione?
The canonical SMILES for 2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione is O=C1c2cc3c(cc2C(=O)N1Cc1ccccc1)CC=C3.
What is the InChIKey of 2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione?
The InChIKey is MOLYWZDJJQRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-17-15-9-13-7-4-8-14(13)10-16(15)18(21)19(17)11-12-5-2-1-3-6-12/h1-7,9-10H,8,11H2.
What are the key properties of 2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione?
2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione has a molecular weight of 275.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5H-cyclopenta[f]isoindole-1,3-dione is sourced from PubChem (CID 70096354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).