(3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid

C13H11NO5 — CID 71596492

IUPAC(3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)/C(=C/c2ccccc2O)C(=O)N1
InChIInChI=1S/C13H11NO5/c15-10-4-2-1-3-7(10)5-8-9(13(18)19)6-11(16)14-12(8)17/h1-5,9,15H,6H2,(H,18,19)(H,14,16,17)/b8-5-
InChIKeySQBHAUIYEZKCKX-YVMONPNESA-N
MW261.23 g/mol
LogP0.52
Rot. Bonds2

About (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid

(3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid (PubChem CID 71596492) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid
PubChem CID71596492
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name(3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)/C(=C/c2ccccc2O)C(=O)N1
InChIInChI=1S/C13H11NO5/c15-10-4-2-1-3-7(10)5-8-9(13(18)19)6-11(16)14-12(8)17/h1-5,9,15H,6H2,(H,18,19)(H,14,16,17)/b8-5-
InChIKeySQBHAUIYEZKCKX-YVMONPNESA-N
XLogP0.52
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid?
The IUPAC name of (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid (CID 71596492) is (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid.
What is the SMILES notation for (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid?
The canonical SMILES for (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid is O=C1CC(C(=O)O)/C(=C/c2ccccc2O)C(=O)N1.
What is the InChIKey of (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid?
The InChIKey is SQBHAUIYEZKCKX-YVMONPNESA-N. The full InChI is InChI=1S/C13H11NO5/c15-10-4-2-1-3-7(10)5-8-9(13(18)19)6-11(16)14-12(8)17/h1-5,9,15H,6H2,(H,18,19)(H,14,16,17)/b8-5-.
What are the key properties of (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid?
(3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid has a molecular weight of 261.23 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-hydroxyphenyl)methylidene]-2,6-dioxopiperidine-4-carboxylic acid is sourced from PubChem (CID 71596492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).