3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid

C13H12N2O3 — CID 16555832

IUPAC3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N\Nc1cccc(C(=O)O)c1)c1ccco1
InChIInChI=1S/C13H12N2O3/c1-9(12-6-3-7-18-12)14-15-11-5-2-4-10(8-11)13(16)17/h2-8,15H,1H3,(H,16,17)/b14-9+
InChIKeyZNLGVROFJGGOIQ-NTEUORMPSA-N
MW244.25 g/mol
LogP2.81
Rot. Bonds4

About 3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid

3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 16555832) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid
PubChem CID16555832
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N\Nc1cccc(C(=O)O)c1)c1ccco1
InChIInChI=1S/C13H12N2O3/c1-9(12-6-3-7-18-12)14-15-11-5-2-4-10(8-11)13(16)17/h2-8,15H,1H3,(H,16,17)/b14-9+
InChIKeyZNLGVROFJGGOIQ-NTEUORMPSA-N
XLogP2.81
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.81
H-Bond Donors ≤ 52
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

N-[1-(furan-2-yl)ethylideneamino]-3-nitroaniline
CID 3873452
4-[(E)-N-(3-carboxyanilino)-C-methylcarbonimidoyl]phenolate
CID 135775244
3-[(2Z)-2-[1-[4-(furan-2-ylmethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 6303601
3-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]benzoic acid
CID 135775253
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 16555836
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5391882
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
CID 3713909

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid (CID 16555832) is 3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid is C/C(=N\Nc1cccc(C(=O)O)c1)c1ccco1.
What is the InChIKey of 3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is ZNLGVROFJGGOIQ-NTEUORMPSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9(12-6-3-7-18-12)14-15-11-5-2-4-10(8-11)13(16)17/h2-8,15H,1H3,(H,16,17)/b14-9+.
What are the key properties of 3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid?
3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 16555832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).