2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione

C21H15NO4 — CID 4825946

IUPAC2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C21H15NO4/c23-19-10-14(17-8-12-4-3-5-13(12)9-18(17)26-19)11-22-20(24)15-6-1-2-7-16(15)21(22)25/h1-2,6-10H,3-5,11H2
InChIKeyNJKIMYDZYSZGRO-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.08
Rot. Bonds2

About 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione

2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione (PubChem CID 4825946) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione
PubChem CID4825946
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C21H15NO4/c23-19-10-14(17-8-12-4-3-5-13(12)9-18(17)26-19)11-22-20(24)15-6-1-2-7-16(15)21(22)25/h1-2,6-10H,3-5,11H2
InChIKeyNJKIMYDZYSZGRO-UHFFFAOYSA-N
XLogP3.08
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione (CID 4825946) is 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3.
What is the InChIKey of 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is NJKIMYDZYSZGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c23-19-10-14(17-8-12-4-3-5-13(12)9-18(17)26-19)11-22-20(24)15-6-1-2-7-16(15)21(22)25/h1-2,6-10H,3-5,11H2.
What are the key properties of 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione?
2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 345.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 4825946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).