3-iodo-2-methylprop-1-ene

C4H7I — CID 10877752

IUPAC3-iodo-2-methylprop-1-ene
SMILESC=C(C)CI
InChIInChI=1S/C4H7I/c1-4(2)3-5/h1,3H2,2H3
InChIKeyHVSJHYFLAANPJS-UHFFFAOYSA-N
MW182.00 g/mol
LogP2.00
Rot. Bonds1

About 3-iodo-2-methylprop-1-ene

3-iodo-2-methylprop-1-ene (PubChem CID 10877752) has the molecular formula C4H7I and a molecular weight of 182.00 g/mol. Its IUPAC name is 3-iodo-2-methylprop-1-ene.

Molecular Properties

Compound Name3-iodo-2-methylprop-1-ene
PubChem CID10877752
Molecular FormulaC4H7I
Molecular Weight182.00 g/mol
Exact Mass181.96
IUPAC Name3-iodo-2-methylprop-1-ene
SMILESC=C(C)CI
InChIInChI=1S/C4H7I/c1-4(2)3-5/h1,3H2,2H3
InChIKeyHVSJHYFLAANPJS-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.00
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-iodo-2-methylprop-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

Related Compounds

4-Iodo-2-methylbut-1-ene
CID 10262076
3-Iodo-2-(iodomethyl)prop-1-ene
CID 11045029
1-Propene, 1-iodo-2-methyl-
CID 11041348
1-Iodo-3-methyl-2-butene
CID 11333045
cis-1-Iodo-2-methyl-1-butene
CID 44238476
(2E)-1-Iodo-2-methyl-2-butene
CID 11954630
trans-1-Iodo-2-methyl-1-butene
CID 19792910
4-Iodo-2-methylbut-1-en-3-yne
CID 12735461
1,3-Diiodo-2-methylprop-1-ene
CID 117778436
3-Iodo-2-ethyl-1-propene
CID 10932362
3-Iodo-2-methyl-1-butene
CID 21255799
3-Fluoro-3,3-diiodo-2-methylprop-1-ene
CID 117789838

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methylprop-1-ene?
The IUPAC name of 3-iodo-2-methylprop-1-ene (CID 10877752) is 3-iodo-2-methylprop-1-ene.
What is the SMILES notation for 3-iodo-2-methylprop-1-ene?
The canonical SMILES for 3-iodo-2-methylprop-1-ene is C=C(C)CI.
What is the InChIKey of 3-iodo-2-methylprop-1-ene?
The InChIKey is HVSJHYFLAANPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7I/c1-4(2)3-5/h1,3H2,2H3.
What are the key properties of 3-iodo-2-methylprop-1-ene?
3-iodo-2-methylprop-1-ene has a molecular weight of 182.00 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methylprop-1-ene is sourced from PubChem (CID 10877752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).