2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione

C18H13N3O4 — CID 135455158

IUPAC2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
SMILESCCOc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2
InChIInChI=1S/C18H13N3O4/c1-2-25-10-7-8-14-13(9-10)15(16(22)19-14)20-21-17(23)11-5-3-4-6-12(11)18(21)24/h3-9H,2H2,1H3,(H,19,20,22)
InChIKeyKJRSGZYEBOIVJY-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.04
Rot. Bonds3

About 2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione

2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione (PubChem CID 135455158) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
PubChem CID135455158
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
SMILESCCOc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2
InChIInChI=1S/C18H13N3O4/c1-2-25-10-7-8-14-13(9-10)15(16(22)19-14)20-21-17(23)11-5-3-4-6-12(11)18(21)24/h3-9H,2H2,1H3,(H,19,20,22)
InChIKeyKJRSGZYEBOIVJY-UHFFFAOYSA-N
XLogP2.04
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione (CID 135455158) is 2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione is CCOc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2.
What is the InChIKey of 2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione?
The InChIKey is KJRSGZYEBOIVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c1-2-25-10-7-8-14-13(9-10)15(16(22)19-14)20-21-17(23)11-5-3-4-6-12(11)18(21)24/h3-9H,2H2,1H3,(H,19,20,22).
What are the key properties of 2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione?
2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione has a molecular weight of 335.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione is sourced from PubChem (CID 135455158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).