methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate

C17H14N2O3 — CID 91808129

IUPACmethyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H14N2O3/c1-22-17(21)11-6-8-12(9-7-11)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14H,1H3,(H,19,20)/b18-10+
InChIKeyIKXSLMNHQYWJHP-VCHYOVAHSA-N
MW294.31 g/mol
LogP2.91
Rot. Bonds3

About methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate

methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate (PubChem CID 91808129) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate
PubChem CID91808129
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Namemethyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H14N2O3/c1-22-17(21)11-6-8-12(9-7-11)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14H,1H3,(H,19,20)/b18-10+
InChIKeyIKXSLMNHQYWJHP-VCHYOVAHSA-N
XLogP2.91
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate?
The IUPAC name of methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate (CID 91808129) is methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate.
What is the SMILES notation for methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate?
The canonical SMILES for methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate is COC(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate?
The InChIKey is IKXSLMNHQYWJHP-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-17(21)11-6-8-12(9-7-11)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14H,1H3,(H,19,20)/b18-10+.
What are the key properties of methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate?
methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate has a molecular weight of 294.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]benzoate is sourced from PubChem (CID 91808129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).