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

C10H11I — CID 58220070

IUPAC(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene
SMILESC=C/C=C1/C=C(/C=C/I)CC1
InChIInChI=1S/C10H11I/c1-2-3-9-4-5-10(8-9)6-7-11/h2-3,6-8H,1,4-5H2/b7-6+,9-3+
InChIKeyWCJGDFZDUQRDLU-AZILEBSASA-N
MW258.10 g/mol
LogP3.77
Rot. Bonds2

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

(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene (PubChem CID 58220070) has the molecular formula C10H11I and a molecular weight of 258.10 g/mol. Its IUPAC name is (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene.

Molecular Properties

Compound Name(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene
PubChem CID58220070
Molecular FormulaC10H11I
Molecular Weight258.10 g/mol
Exact Mass257.99
IUPAC Name(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene
SMILESC=C/C=C1/C=C(/C=C/I)CC1
InChIInChI=1S/C10H11I/c1-2-3-9-4-5-10(8-9)6-7-11/h2-3,6-8H,1,4-5H2/b7-6+,9-3+
InChIKeyWCJGDFZDUQRDLU-AZILEBSASA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.77
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 (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene?
The IUPAC name of (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene (CID 58220070) is (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene.
What is the SMILES notation for (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene?
The canonical SMILES for (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene is C=C/C=C1/C=C(/C=C/I)CC1.
What is the InChIKey of (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene?
The InChIKey is WCJGDFZDUQRDLU-AZILEBSASA-N. The full InChI is InChI=1S/C10H11I/c1-2-3-9-4-5-10(8-9)6-7-11/h2-3,6-8H,1,4-5H2/b7-6+,9-3+.
What are the key properties of (3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene?
(3E)-1-[(E)-2-iodoethenyl]-3-prop-2-enylidenecyclopentene has a molecular weight of 258.10 g/mol, XLogP of 3.77, 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-enylidenecyclopentene is sourced from PubChem (CID 58220070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).