(4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid

C10H8INO2 — CID 89093928

IUPAC(4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid
SMILESC=C/N=C1\C=C(C(=O)O)C=C\C1=C\I
InChIInChI=1S/C10H8INO2/c1-2-12-9-5-7(10(13)14)3-4-8(9)6-11/h2-6H,1H2,(H,13,14)/b8-6-,12-9+
InChIKeySXFBGZABCPJYJG-ZHAQITPWSA-N
MW301.08 g/mol
LogP2.47
Rot. Bonds2

About (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid

(4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 89093928) has the molecular formula C10H8INO2 and a molecular weight of 301.08 g/mol. Its IUPAC name is (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name(4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid
PubChem CID89093928
Molecular FormulaC10H8INO2
Molecular Weight301.08 g/mol
Exact Mass300.96
IUPAC Name(4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid
SMILESC=C/N=C1\C=C(C(=O)O)C=C\C1=C\I
InChIInChI=1S/C10H8INO2/c1-2-12-9-5-7(10(13)14)3-4-8(9)6-11/h2-6H,1H2,(H,13,14)/b8-6-,12-9+
InChIKeySXFBGZABCPJYJG-ZHAQITPWSA-N
XLogP2.47
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-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 (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid (CID 89093928) is (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid is C=C/N=C1\C=C(C(=O)O)C=C\C1=C\I.
What is the InChIKey of (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is SXFBGZABCPJYJG-ZHAQITPWSA-N. The full InChI is InChI=1S/C10H8INO2/c1-2-12-9-5-7(10(13)14)3-4-8(9)6-11/h2-6H,1H2,(H,13,14)/b8-6-,12-9+.
What are the key properties of (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid?
(4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 301.08 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-ethenylimino-4-(iodomethylidene)cyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 89093928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).