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

C17H11N3O3 — CID 135497959

IUPAC2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
SMILESCc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2
InChIInChI=1S/C17H11N3O3/c1-9-6-7-13-12(8-9)14(15(21)18-13)19-20-16(22)10-4-2-3-5-11(10)17(20)23/h2-8H,1H3,(H,18,19,21)
InChIKeyGRELNDDQGJPOHJ-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.95
Rot. Bonds1

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

2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione (PubChem CID 135497959) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
PubChem CID135497959
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
SMILESCc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2
InChIInChI=1S/C17H11N3O3/c1-9-6-7-13-12(8-9)14(15(21)18-13)19-20-16(22)10-4-2-3-5-11(10)17(20)23/h2-8H,1H3,(H,18,19,21)
InChIKeyGRELNDDQGJPOHJ-UHFFFAOYSA-N
XLogP1.95
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione (CID 135497959) is 2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione is Cc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2.
What is the InChIKey of 2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione?
The InChIKey is GRELNDDQGJPOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c1-9-6-7-13-12(8-9)14(15(21)18-13)19-20-16(22)10-4-2-3-5-11(10)17(20)23/h2-8H,1H3,(H,18,19,21).
What are the key properties of 2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione?
2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione has a molecular weight of 305.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione is sourced from PubChem (CID 135497959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).