(2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid

C10H8N2O3 — CID 127046271

IUPAC(2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid
SMILESN#Cc1ccc(C/C(=N/O)C(=O)O)cc1
InChIInChI=1S/C10H8N2O3/c11-6-8-3-1-7(2-4-8)5-9(12-15)10(13)14/h1-4,15H,5H2,(H,13,14)/b12-9-
InChIKeyKFLUGOTXZLOJRY-XFXZXTDPSA-N
MW204.19 g/mol
LogP1.02
Rot. Bonds3

About (2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid

(2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid (PubChem CID 127046271) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is (2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid.

Molecular Properties

Compound Name(2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid
PubChem CID127046271
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name(2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid
SMILESN#Cc1ccc(C/C(=N/O)C(=O)O)cc1
InChIInChI=1S/C10H8N2O3/c11-6-8-3-1-7(2-4-8)5-9(12-15)10(13)14/h1-4,15H,5H2,(H,13,14)/b12-9-
InChIKeyKFLUGOTXZLOJRY-XFXZXTDPSA-N
XLogP1.02
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid?
The IUPAC name of (2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid (CID 127046271) is (2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid.
What is the SMILES notation for (2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid?
The canonical SMILES for (2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid is N#Cc1ccc(C/C(=N/O)C(=O)O)cc1.
What is the InChIKey of (2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid?
The InChIKey is KFLUGOTXZLOJRY-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-6-8-3-1-7(2-4-8)5-9(12-15)10(13)14/h1-4,15H,5H2,(H,13,14)/b12-9-.
What are the key properties of (2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid?
(2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid has a molecular weight of 204.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid is sourced from PubChem (CID 127046271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).