1-iodo-2-methylcyclobutene

C5H7I — CID 10888804

IUPAC1-iodo-2-methylcyclobutene
SMILESCC1=C(I)CC1
InChIInChI=1S/C5H7I/c1-4-2-3-5(4)6/h2-3H2,1H3
InChIKeyIIAMVVSQXFKVPH-UHFFFAOYSA-N
MW194.01 g/mol
LogP2.49
Rot. Bonds

About 1-iodo-2-methylcyclobutene

1-iodo-2-methylcyclobutene (PubChem CID 10888804) has the molecular formula C5H7I and a molecular weight of 194.01 g/mol. Its IUPAC name is 1-iodo-2-methylcyclobutene.

Molecular Properties

Compound Name1-iodo-2-methylcyclobutene
PubChem CID10888804
Molecular FormulaC5H7I
Molecular Weight194.01 g/mol
Exact Mass193.96
IUPAC Name1-iodo-2-methylcyclobutene
SMILESCC1=C(I)CC1
InChIInChI=1S/C5H7I/c1-4-2-3-5(4)6/h2-3H2,1H3
InChIKeyIIAMVVSQXFKVPH-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.01
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methylcyclobutene?
The IUPAC name of 1-iodo-2-methylcyclobutene (CID 10888804) is 1-iodo-2-methylcyclobutene.
What is the SMILES notation for 1-iodo-2-methylcyclobutene?
The canonical SMILES for 1-iodo-2-methylcyclobutene is CC1=C(I)CC1.
What is the InChIKey of 1-iodo-2-methylcyclobutene?
The InChIKey is IIAMVVSQXFKVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7I/c1-4-2-3-5(4)6/h2-3H2,1H3.
What are the key properties of 1-iodo-2-methylcyclobutene?
1-iodo-2-methylcyclobutene has a molecular weight of 194.01 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methylcyclobutene is sourced from PubChem (CID 10888804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).