3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid

C16H14N2O3 — CID 45327334

IUPAC3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(N/N=C2\CCc3c(O)cccc32)c1
InChIInChI=1S/C16H14N2O3/c19-15-6-2-5-12-13(15)7-8-14(12)18-17-11-4-1-3-10(9-11)16(20)21/h1-6,9,17,19H,7-8H2,(H,20,21)/b18-14+
InChIKeyNUBYFTVMPXRDGL-NBVRZTHBSA-N
MW282.30 g/mol
LogP2.85
Rot. Bonds3

About 3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid

3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid (PubChem CID 45327334) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
PubChem CID45327334
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(N/N=C2\CCc3c(O)cccc32)c1
InChIInChI=1S/C16H14N2O3/c19-15-6-2-5-12-13(15)7-8-14(12)18-17-11-4-1-3-10(9-11)16(20)21/h1-6,9,17,19H,7-8H2,(H,20,21)/b18-14+
InChIKeyNUBYFTVMPXRDGL-NBVRZTHBSA-N
XLogP2.85
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]benzoic acid
CID 5227479
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid
CID 16555832
ethane;3-hydrazinylbenzoic acid
CID 142968377
3-[(2-chloro-6-hydroxyphenyl)methylamino]benzoic acid
CID 114317931
3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 16555836
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974
3-[(2-phenylphenyl)sulfonylamino]benzoic acid
CID 52565138
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
4-[(E)-N-(3-carboxyanilino)-C-methylcarbonimidoyl]phenolate
CID 135775244
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 135775232

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid?
The IUPAC name of 3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid (CID 45327334) is 3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid is O=C(O)c1cccc(N/N=C2\CCc3c(O)cccc32)c1.
What is the InChIKey of 3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid?
The InChIKey is NUBYFTVMPXRDGL-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15-6-2-5-12-13(15)7-8-14(12)18-17-11-4-1-3-10(9-11)16(20)21/h1-6,9,17,19H,7-8H2,(H,20,21)/b18-14+.
What are the key properties of 3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid?
3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 45327334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).