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

C10H8N2O3 — CID 170871603

IUPAC(3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid
SMILESN#Cc1cccc(/C(CC(=O)O)=N\O)c1
InChIInChI=1S/C10H8N2O3/c11-6-7-2-1-3-8(4-7)9(12-15)5-10(13)14/h1-4,15H,5H2,(H,13,14)/b12-9-
InChIKeyNXCYJVBSGWWBBK-XFXZXTDPSA-N
MW204.19 g/mol
LogP1.21
Rot. Bonds3

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

(3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid (PubChem CID 170871603) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is (3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid.

Molecular Properties

Compound Name(3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid
PubChem CID170871603
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name(3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid
SMILESN#Cc1cccc(/C(CC(=O)O)=N\O)c1
InChIInChI=1S/C10H8N2O3/c11-6-7-2-1-3-8(4-7)9(12-15)5-10(13)14/h1-4,15H,5H2,(H,13,14)/b12-9-
InChIKeyNXCYJVBSGWWBBK-XFXZXTDPSA-N
XLogP1.21
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 ≤ 51.21
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid?
The IUPAC name of (3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid (CID 170871603) is (3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid.
What is the SMILES notation for (3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid?
The canonical SMILES for (3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid is N#Cc1cccc(/C(CC(=O)O)=N\O)c1.
What is the InChIKey of (3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid?
The InChIKey is NXCYJVBSGWWBBK-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-6-7-2-1-3-8(4-7)9(12-15)5-10(13)14/h1-4,15H,5H2,(H,13,14)/b12-9-.
What are the key properties of (3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid?
(3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid has a molecular weight of 204.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3-cyanophenyl)-3-hydroxyiminopropanoic acid is sourced from PubChem (CID 170871603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).