[(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene

C15H13I — CID 58220049

IUPAC[(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene
SMILESC=C/C=C1\CC(/C=C/I)=C1c1ccccc1
InChIInChI=1S/C15H13I/c1-2-6-13-11-14(9-10-16)15(13)12-7-4-3-5-8-12/h2-10H,1,11H2/b10-9+,13-6+
InChIKeyQQYKRTVKCGMUIB-SLJQOXHMSA-N
MW320.17 g/mol
LogP4.91
Rot. Bonds3

About [(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene

[(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene (PubChem CID 58220049) has the molecular formula C15H13I and a molecular weight of 320.17 g/mol. Its IUPAC name is [(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene.

Molecular Properties

Compound Name[(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene
PubChem CID58220049
Molecular FormulaC15H13I
Molecular Weight320.17 g/mol
Exact Mass320.01
IUPAC Name[(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene
SMILESC=C/C=C1\CC(/C=C/I)=C1c1ccccc1
InChIInChI=1S/C15H13I/c1-2-6-13-11-14(9-10-16)15(13)12-7-4-3-5-8-12/h2-10H,1,11H2/b10-9+,13-6+
InChIKeyQQYKRTVKCGMUIB-SLJQOXHMSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 54.91
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 [(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene?
The IUPAC name of [(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene (CID 58220049) is [(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene.
What is the SMILES notation for [(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene?
The canonical SMILES for [(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene is C=C/C=C1\CC(/C=C/I)=C1c1ccccc1.
What is the InChIKey of [(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene?
The InChIKey is QQYKRTVKCGMUIB-SLJQOXHMSA-N. The full InChI is InChI=1S/C15H13I/c1-2-6-13-11-14(9-10-16)15(13)12-7-4-3-5-8-12/h2-10H,1,11H2/b10-9+,13-6+.
What are the key properties of [(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene?
[(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene has a molecular weight of 320.17 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-2-[(E)-2-iodoethenyl]-4-prop-2-enylidenecyclobuten-1-yl]benzene is sourced from PubChem (CID 58220049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).