(2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan

C9H9IO — CID 143969399

IUPAC(2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan
SMILESC/C=c1/occ/c1=C/C=C\I
InChIInChI=1S/C9H9IO/c1-2-9-8(4-3-6-10)5-7-11-9/h2-7H,1H3/b6-3-,8-4-,9-2+
InChIKeyKKZIBTVRUIVTHN-KMHPWTLGSA-N
MW260.07 g/mol
LogP1.81
Rot. Bonds1

About (2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan

(2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan (PubChem CID 143969399) has the molecular formula C9H9IO and a molecular weight of 260.07 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan
PubChem CID143969399
Molecular FormulaC9H9IO
Molecular Weight260.07 g/mol
Exact Mass259.97
IUPAC Name(2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan
SMILESC/C=c1/occ/c1=C/C=C\I
InChIInChI=1S/C9H9IO/c1-2-9-8(4-3-6-10)5-7-11-9/h2-7H,1H3/b6-3-,8-4-,9-2+
InChIKeyKKZIBTVRUIVTHN-KMHPWTLGSA-N
XLogP1.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan?
The IUPAC name of (2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan (CID 143969399) is (2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan.
What is the SMILES notation for (2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan?
The canonical SMILES for (2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan is C/C=c1/occ/c1=C/C=C\I.
What is the InChIKey of (2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan?
The InChIKey is KKZIBTVRUIVTHN-KMHPWTLGSA-N. The full InChI is InChI=1S/C9H9IO/c1-2-9-8(4-3-6-10)5-7-11-9/h2-7H,1H3/b6-3-,8-4-,9-2+.
What are the key properties of (2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan?
(2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan has a molecular weight of 260.07 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-3-[(Z)-3-iodoprop-2-enylidene]furan is sourced from PubChem (CID 143969399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).