3-prop-2-enyliodanuidylprop-1-ene

C6H10I- — CID 23116598

IUPAC3-prop-2-enyliodanuidylprop-1-ene
SMILESC=CC[I-]CC=C
InChIInChI=1S/C6H10I/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2/q-1
InChIKeySSFBYSHMXMIQAL-UHFFFAOYSA-N
MW209.05 g/mol
LogP-1.55
Rot. Bonds4

About 3-prop-2-enyliodanuidylprop-1-ene

3-prop-2-enyliodanuidylprop-1-ene (PubChem CID 23116598) has the molecular formula C6H10I- and a molecular weight of 209.05 g/mol. Its IUPAC name is 3-prop-2-enyliodanuidylprop-1-ene.

Molecular Properties

Compound Name3-prop-2-enyliodanuidylprop-1-ene
PubChem CID23116598
Molecular FormulaC6H10I-
Molecular Weight209.05 g/mol
Exact Mass208.98
IUPAC Name3-prop-2-enyliodanuidylprop-1-ene
SMILESC=CC[I-]CC=C
InChIInChI=1S/C6H10I/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2/q-1
InChIKeySSFBYSHMXMIQAL-UHFFFAOYSA-N
XLogP-1.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-prop-2-enyliodanuidylprop-1-ene 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 3-prop-2-enyliodanuidylprop-1-ene?
The IUPAC name of 3-prop-2-enyliodanuidylprop-1-ene (CID 23116598) is 3-prop-2-enyliodanuidylprop-1-ene.
What is the SMILES notation for 3-prop-2-enyliodanuidylprop-1-ene?
The canonical SMILES for 3-prop-2-enyliodanuidylprop-1-ene is C=CC[I-]CC=C.
What is the InChIKey of 3-prop-2-enyliodanuidylprop-1-ene?
The InChIKey is SSFBYSHMXMIQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10I/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2/q-1.
What are the key properties of 3-prop-2-enyliodanuidylprop-1-ene?
3-prop-2-enyliodanuidylprop-1-ene has a molecular weight of 209.05 g/mol, XLogP of -1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyliodanuidylprop-1-ene is sourced from PubChem (CID 23116598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).