2,3-diiodoprop-2-enoic acid

C3H2I2O2 — CID 54342819

IUPAC2,3-diiodoprop-2-enoic acid
SMILESO=C(O)C(I)=CI
InChIInChI=1S/C3H2I2O2/c4-1-2(5)3(6)7/h1H,(H,6,7)
InChIKeyUAEPAJNCOGKTLQ-UHFFFAOYSA-N
MW323.86 g/mol
LogP1.78
Rot. Bonds1

About 2,3-diiodoprop-2-enoic acid

2,3-diiodoprop-2-enoic acid (PubChem CID 54342819) has the molecular formula C3H2I2O2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 2,3-diiodoprop-2-enoic acid.

Molecular Properties

Compound Name2,3-diiodoprop-2-enoic acid
PubChem CID54342819
Molecular FormulaC3H2I2O2
Molecular Weight323.86 g/mol
Exact Mass323.81
IUPAC Name2,3-diiodoprop-2-enoic acid
SMILESO=C(O)C(I)=CI
InChIInChI=1S/C3H2I2O2/c4-1-2(5)3(6)7/h1H,(H,6,7)
InChIKeyUAEPAJNCOGKTLQ-UHFFFAOYSA-N
XLogP1.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

alumane;2,3-diiodoprop-2-enoic acid
CID 173230375
(Z)-2-iodo-4-oxobut-2-enoic acid
CID 151636828
aluminum tris((Z)-2,3-diiodoprop-2-enoate)
CID 22604740
2-bromo-3-iodoprop-2-enoic acid
CID 54348536
1,1,2-triiodoethene
CID 11750092
(E)-1-chloro-1,2-diiodoethene
CID 87733481
CID 76552400
CID 76552400
CID 87073039
CID 87073039
europium;oxalic acid
CID 90472147
californium;oxalic acid
CID 87427078
oxalic acid;trihydrochloride
CID 140553783
carbonyl diiodide;platinum
CID 88779166

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodoprop-2-enoic acid?
The IUPAC name of 2,3-diiodoprop-2-enoic acid (CID 54342819) is 2,3-diiodoprop-2-enoic acid.
What is the SMILES notation for 2,3-diiodoprop-2-enoic acid?
The canonical SMILES for 2,3-diiodoprop-2-enoic acid is O=C(O)C(I)=CI.
What is the InChIKey of 2,3-diiodoprop-2-enoic acid?
The InChIKey is UAEPAJNCOGKTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2I2O2/c4-1-2(5)3(6)7/h1H,(H,6,7).
What are the key properties of 2,3-diiodoprop-2-enoic acid?
2,3-diiodoprop-2-enoic acid has a molecular weight of 323.86 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodoprop-2-enoic acid is sourced from PubChem (CID 54342819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).