2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid

C17H15N3O3 — CID 95976036

IUPAC2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N\Nc1ccccc1C(=O)O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H15N3O3/c1-10(11-6-7-14-12(8-11)9-16(21)18-14)19-20-15-5-3-2-4-13(15)17(22)23/h2-8,20H,9H2,1H3,(H,18,21)(H,22,23)/b19-10+
InChIKeyJMQSFFSSKZGHMJ-VXLYETTFSA-N
MW309.33 g/mol
LogP2.72
Rot. Bonds4

About 2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid

2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 95976036) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid
PubChem CID95976036
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N\Nc1ccccc1C(=O)O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H15N3O3/c1-10(11-6-7-14-12(8-11)9-16(21)18-14)19-20-15-5-3-2-4-13(15)17(22)23/h2-8,20H,9H2,1H3,(H,18,21)(H,22,23)/b19-10+
InChIKeyJMQSFFSSKZGHMJ-VXLYETTFSA-N
XLogP2.72
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 45327860
5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
5-(2-iodobenzoyl)-1,3-dihydroindol-2-one
CID 43338616
4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide
CID 97002830
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
CID 43160594
N-(2-methylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344864
N-[3-(2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]acetamide
CID 68698490
acetic acid;1,3-dihydroindol-2-one
CID 158067424
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid (CID 95976036) is 2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid is C/C(=N\Nc1ccccc1C(=O)O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is JMQSFFSSKZGHMJ-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10(11-6-7-14-12(8-11)9-16(21)18-14)19-20-15-5-3-2-4-13(15)17(22)23/h2-8,20H,9H2,1H3,(H,18,21)(H,22,23)/b19-10+.
What are the key properties of 2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid?
2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 95976036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).