2-[1-(4-cyanophenyl)ethylideneamino]acetic acid

C11H10N2O2 — CID 123488145

IUPAC2-[1-(4-cyanophenyl)ethylideneamino]acetic acid
SMILESC/C(=N\CC(=O)O)c1ccc(C#N)cc1
InChIInChI=1S/C11H10N2O2/c1-8(13-7-11(14)15)10-4-2-9(6-12)3-5-10/h2-5H,7H2,1H3,(H,14,15)/b13-8+
InChIKeyMCLUVPFMVYADOU-MDWZMJQESA-N
MW202.21 g/mol
LogP1.45
Rot. Bonds3

About 2-[1-(4-cyanophenyl)ethylideneamino]acetic acid

2-[1-(4-cyanophenyl)ethylideneamino]acetic acid (PubChem CID 123488145) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[1-(4-cyanophenyl)ethylideneamino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-cyanophenyl)ethylideneamino]acetic acid
PubChem CID123488145
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-[1-(4-cyanophenyl)ethylideneamino]acetic acid
SMILESC/C(=N\CC(=O)O)c1ccc(C#N)cc1
InChIInChI=1S/C11H10N2O2/c1-8(13-7-11(14)15)10-4-2-9(6-12)3-5-10/h2-5H,7H2,1H3,(H,14,15)/b13-8+
InChIKeyMCLUVPFMVYADOU-MDWZMJQESA-N
XLogP1.45
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(E)-1-(4-cyanophenyl)ethylideneamino]carbamate
CID 18526403
4-[2-(ethylideneamino)acetyl]benzonitrile
CID 59983068
5-(4-cyanophenyl)-4-methyl-5-sulfanylidenepentanoic acid
CID 175474411
4-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]benzonitrile
CID 46566994
4-(4-cyanophenyl)benzoic acid;ethane
CID 143220259
N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 72956691
4-(4-cyanophenyl)pent-4-enoic acid
CID 102579433
N-(1-aminoethylidene)-4-cyanobenzamide
CID 130019001
7-(4-cyanobenzoyl)-8-oxononanoic acid
CID 172708638
4-[4-(4-cyanophenyl)phenyl]benzoic acid
CID 102170624
2-(4-cyanobenzoyl)butanoic acid
CID 67830865
4-cyanobenzoyl bromide
CID 22321969

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanophenyl)ethylideneamino]acetic acid?
The IUPAC name of 2-[1-(4-cyanophenyl)ethylideneamino]acetic acid (CID 123488145) is 2-[1-(4-cyanophenyl)ethylideneamino]acetic acid.
What is the SMILES notation for 2-[1-(4-cyanophenyl)ethylideneamino]acetic acid?
The canonical SMILES for 2-[1-(4-cyanophenyl)ethylideneamino]acetic acid is C/C(=N\CC(=O)O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[1-(4-cyanophenyl)ethylideneamino]acetic acid?
The InChIKey is MCLUVPFMVYADOU-MDWZMJQESA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8(13-7-11(14)15)10-4-2-9(6-12)3-5-10/h2-5H,7H2,1H3,(H,14,15)/b13-8+.
What are the key properties of 2-[1-(4-cyanophenyl)ethylideneamino]acetic acid?
2-[1-(4-cyanophenyl)ethylideneamino]acetic acid has a molecular weight of 202.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanophenyl)ethylideneamino]acetic acid is sourced from PubChem (CID 123488145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).