3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate

C15H9N2O3- — CID 135516462

IUPAC3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate
SMILESO=C1Nc2ccccc2/C1=N/c1cccc(C(=O)[O-])c1
InChIInChI=1S/C15H10N2O3/c18-14-13(11-6-1-2-7-12(11)17-14)16-10-5-3-4-9(8-10)15(19)20/h1-8H,(H,19,20)(H,16,17,18)/p-1
InChIKeyJULSJJGHGVMLOI-UHFFFAOYSA-M
MW265.25 g/mol
LogP1.12
Rot. Bonds2

About 3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate

3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate (PubChem CID 135516462) has the molecular formula C15H9N2O3- and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate.

Molecular Properties

Compound Name3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate
PubChem CID135516462
Molecular FormulaC15H9N2O3-
Molecular Weight265.25 g/mol
Exact Mass265.06
IUPAC Name3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate
SMILESO=C1Nc2ccccc2/C1=N/c1cccc(C(=O)[O-])c1
InChIInChI=1S/C15H10N2O3/c18-14-13(11-6-1-2-7-12(11)17-14)16-10-5-3-4-9(8-10)15(19)20/h1-8H,(H,19,20)(H,16,17,18)/p-1
InChIKeyJULSJJGHGVMLOI-UHFFFAOYSA-M
XLogP1.12
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-iodophenyl)imino-1H-indol-2-one
CID 135411934
3-[4-[4-[4-[(2-oxo-1H-indol-3-ylidene)amino]benzoyl]piperazine-1-carbonyl]phenyl]imino-1H-indol-2-one
CID 137144313
3-dibenzofuran-2-ylimino-1H-indol-2-one
CID 135739843
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
CID 135995901
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
CID 135672018
1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995905
[(2-oxo-1H-indol-3-ylidene)amino] 3-nitrobenzoate
CID 136691655
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
disodium;3-[(3-carboxylatophenyl)diazenyl]benzoate
CID 101498255
3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one
CID 135521199
3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
CID 135416717

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate?
The IUPAC name of 3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate (CID 135516462) is 3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate.
What is the SMILES notation for 3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate?
The canonical SMILES for 3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate is O=C1Nc2ccccc2/C1=N/c1cccc(C(=O)[O-])c1.
What is the InChIKey of 3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate?
The InChIKey is JULSJJGHGVMLOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10N2O3/c18-14-13(11-6-1-2-7-12(11)17-14)16-10-5-3-4-9(8-10)15(19)20/h1-8H,(H,19,20)(H,16,17,18)/p-1.
What are the key properties of 3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate?
3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate has a molecular weight of 265.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate is sourced from PubChem (CID 135516462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).