(Z)-2,3-dichlorobut-2-enedial

C4H2Cl2O2 — CID 19698754

IUPAC(Z)-2,3-dichlorobut-2-enedial
SMILESO=C/C(Cl)=C(/Cl)C=O
InChIInChI=1S/C4H2Cl2O2/c5-3(1-7)4(6)2-8/h1-2H/b4-3-
InChIKeyUBROMMBAOCYNOT-ARJAWSKDSA-N
MW152.96 g/mol
LogP1.07
Rot. Bonds2

About (Z)-2,3-dichlorobut-2-enedial

(Z)-2,3-dichlorobut-2-enedial (PubChem CID 19698754) has the molecular formula C4H2Cl2O2 and a molecular weight of 152.96 g/mol. Its IUPAC name is (Z)-2,3-dichlorobut-2-enedial.

Molecular Properties

Compound Name(Z)-2,3-dichlorobut-2-enedial
PubChem CID19698754
Molecular FormulaC4H2Cl2O2
Molecular Weight152.96 g/mol
Exact Mass151.94
IUPAC Name(Z)-2,3-dichlorobut-2-enedial
SMILESO=C/C(Cl)=C(/Cl)C=O
InChIInChI=1S/C4H2Cl2O2/c5-3(1-7)4(6)2-8/h1-2H/b4-3-
InChIKeyUBROMMBAOCYNOT-ARJAWSKDSA-N
XLogP1.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.96
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2,3-dichlorobut-2-enedial 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 (Z)-2,3-dichlorobut-2-enedial?
The IUPAC name of (Z)-2,3-dichlorobut-2-enedial (CID 19698754) is (Z)-2,3-dichlorobut-2-enedial.
What is the SMILES notation for (Z)-2,3-dichlorobut-2-enedial?
The canonical SMILES for (Z)-2,3-dichlorobut-2-enedial is O=C/C(Cl)=C(/Cl)C=O.
What is the InChIKey of (Z)-2,3-dichlorobut-2-enedial?
The InChIKey is UBROMMBAOCYNOT-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H2Cl2O2/c5-3(1-7)4(6)2-8/h1-2H/b4-3-.
What are the key properties of (Z)-2,3-dichlorobut-2-enedial?
(Z)-2,3-dichlorobut-2-enedial has a molecular weight of 152.96 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dichlorobut-2-enedial is sourced from PubChem (CID 19698754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).