alumane;2,3-diiodoprop-2-enoic acid

C3H5AlI2O2 — CID 173230375

IUPACalumane;2,3-diiodoprop-2-enoic acid
SMILESO=C(O)C(I)=CI.[AlH3]
InChIInChI=1S/C3H2I2O2.Al.3H/c4-1-2(5)3(6)7;;;;/h1H,(H,6,7);;;;
InChIKeyWDYYEPACEMEIAE-UHFFFAOYSA-N
MW353.86 g/mol
LogP0.60
Rot. Bonds1

About alumane;2,3-diiodoprop-2-enoic acid

alumane;2,3-diiodoprop-2-enoic acid (PubChem CID 173230375) has the molecular formula C3H5AlI2O2 and a molecular weight of 353.86 g/mol. Its IUPAC name is alumane;2,3-diiodoprop-2-enoic acid.

Molecular Properties

Compound Namealumane;2,3-diiodoprop-2-enoic acid
PubChem CID173230375
Molecular FormulaC3H5AlI2O2
Molecular Weight353.86 g/mol
Exact Mass353.82
IUPAC Namealumane;2,3-diiodoprop-2-enoic acid
SMILESO=C(O)C(I)=CI.[AlH3]
InChIInChI=1S/C3H2I2O2.Al.3H/c4-1-2(5)3(6)7;;;;/h1H,(H,6,7);;;;
InChIKeyWDYYEPACEMEIAE-UHFFFAOYSA-N
XLogP0.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 50.60
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'}

Analyze alumane;2,3-diiodoprop-2-enoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2,3-diiodoprop-2-enoic acid
CID 54342819
(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
oxalic acid;trihydrochloride
CID 140553783
alumane;azane;carbonic acid
CID 173312756
magnesium oxalic acid
CID 54611841

Frequently Asked Questions

What is the IUPAC name of alumane;2,3-diiodoprop-2-enoic acid?
The IUPAC name of alumane;2,3-diiodoprop-2-enoic acid (CID 173230375) is alumane;2,3-diiodoprop-2-enoic acid.
What is the SMILES notation for alumane;2,3-diiodoprop-2-enoic acid?
The canonical SMILES for alumane;2,3-diiodoprop-2-enoic acid is O=C(O)C(I)=CI.[AlH3].
What is the InChIKey of alumane;2,3-diiodoprop-2-enoic acid?
The InChIKey is WDYYEPACEMEIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2I2O2.Al.3H/c4-1-2(5)3(6)7;;;;/h1H,(H,6,7);;;;.
What are the key properties of alumane;2,3-diiodoprop-2-enoic acid?
alumane;2,3-diiodoprop-2-enoic acid has a molecular weight of 353.86 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,3-diiodoprop-2-enoic acid is sourced from PubChem (CID 173230375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).