(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene

C11H13I — CID 58220077

IUPAC(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene
SMILESC=C/C=C1/C=C(/C=C/I)CCC1
InChIInChI=1S/C11H13I/c1-2-4-10-5-3-6-11(9-10)7-8-12/h2,4,7-9H,1,3,5-6H2/b8-7+,10-4+
InChIKeyUVXITZWKEWTCIL-IJKCFHSJSA-N
MW272.13 g/mol
LogP4.16
Rot. Bonds2

About (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene

(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene (PubChem CID 58220077) has the molecular formula C11H13I and a molecular weight of 272.13 g/mol. Its IUPAC name is (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene.

Molecular Properties

Compound Name(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene
PubChem CID58220077
Molecular FormulaC11H13I
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene
SMILESC=C/C=C1/C=C(/C=C/I)CCC1
InChIInChI=1S/C11H13I/c1-2-4-10-5-3-6-11(9-10)7-8-12/h2,4,7-9H,1,3,5-6H2/b8-7+,10-4+
InChIKeyUVXITZWKEWTCIL-IJKCFHSJSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene 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 (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene?
The IUPAC name of (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene (CID 58220077) is (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene.
What is the SMILES notation for (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene?
The canonical SMILES for (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene is C=C/C=C1/C=C(/C=C/I)CCC1.
What is the InChIKey of (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene?
The InChIKey is UVXITZWKEWTCIL-IJKCFHSJSA-N. The full InChI is InChI=1S/C11H13I/c1-2-4-10-5-3-6-11(9-10)7-8-12/h2,4,7-9H,1,3,5-6H2/b8-7+,10-4+.
What are the key properties of (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene?
(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene has a molecular weight of 272.13 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclohexene is sourced from PubChem (CID 58220077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).