2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione

C19H12N2O4 — CID 707954

IUPAC2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione
SMILESCC(=NN1C(=O)c2ccccc2C1=O)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H12N2O4/c1-10(15-16(22)11-6-2-3-7-12(11)17(15)23)20-21-18(24)13-8-4-5-9-14(13)19(21)25/h2-9,15H,1H3
InChIKeyNZIODKQHKFNKCB-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.35
Rot. Bonds2

About 2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione

2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione (PubChem CID 707954) has the molecular formula C19H12N2O4 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione
PubChem CID707954
Molecular FormulaC19H12N2O4
Molecular Weight332.31 g/mol
Exact Mass332.08
IUPAC Name2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione
SMILESCC(=NN1C(=O)c2ccccc2C1=O)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H12N2O4/c1-10(15-16(22)11-6-2-3-7-12(11)17(15)23)20-21-18(24)13-8-4-5-9-14(13)19(21)25/h2-9,15H,1H3
InChIKeyNZIODKQHKFNKCB-UHFFFAOYSA-N
XLogP2.35
TPSA83.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]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-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione (CID 707954) is 2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione is CC(=NN1C(=O)c2ccccc2C1=O)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione?
The InChIKey is NZIODKQHKFNKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4/c1-10(15-16(22)11-6-2-3-7-12(11)17(15)23)20-21-18(24)13-8-4-5-9-14(13)19(21)25/h2-9,15H,1H3.
What are the key properties of 2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione?
2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione has a molecular weight of 332.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 707954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).