3-iodocyclobutene

C4H5I — CID 88872191

IUPAC3-iodocyclobutene
SMILESIC1C=CC1
InChIInChI=1S/C4H5I/c5-4-2-1-3-4/h1-2,4H,3H2
InChIKeyRGSWKOCTTQZOOT-UHFFFAOYSA-N
MW179.99 g/mol
LogP1.75
Rot. Bonds

About 3-iodocyclobutene

3-iodocyclobutene (PubChem CID 88872191) has the molecular formula C4H5I and a molecular weight of 179.99 g/mol. Its IUPAC name is 3-iodocyclobutene.

Molecular Properties

Compound Name3-iodocyclobutene
PubChem CID88872191
Molecular FormulaC4H5I
Molecular Weight179.99 g/mol
Exact Mass179.94
IUPAC Name3-iodocyclobutene
SMILESIC1C=CC1
InChIInChI=1S/C4H5I/c5-4-2-1-3-4/h1-2,4H,3H2
InChIKeyRGSWKOCTTQZOOT-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.99
LogP ≤ 51.75
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'}

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Related Compounds

5-iodocyclohex-3-ene-1-carboxylate
CID 154609468
5-iodocyclohex-2-en-1-ol
CID 146915953
3-cyclohexyl-5-iodocyclohexene
CID 89170570
3-methylcyclobutene;sulfane
CID 90110313
2-cyclobut-2-en-1-yloxirane
CID 150243675
(1R,5S)-bicyclo[3.2.0]hept-2-ene
CID 141236414
(6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene
CID 89170954
4-iodo-1-methyl-2,3,4,7-tetrahydroazepine
CID 163557855
(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
CID 12648742
(1R,5S,6R)-bicyclo[3.2.0]hept-2-en-6-ol
CID 11116010
(1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene
CID 136742471
(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 12721347

Frequently Asked Questions

What is the IUPAC name of 3-iodocyclobutene?
The IUPAC name of 3-iodocyclobutene (CID 88872191) is 3-iodocyclobutene.
What is the SMILES notation for 3-iodocyclobutene?
The canonical SMILES for 3-iodocyclobutene is IC1C=CC1.
What is the InChIKey of 3-iodocyclobutene?
The InChIKey is RGSWKOCTTQZOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5I/c5-4-2-1-3-4/h1-2,4H,3H2.
What are the key properties of 3-iodocyclobutene?
3-iodocyclobutene has a molecular weight of 179.99 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodocyclobutene is sourced from PubChem (CID 88872191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).