(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde

C11H12O2 — CID 143829756

IUPAC(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde
SMILESC/C=C\C=c1\occ(C=O)\c1=C\C
InChIInChI=1S/C11H12O2/c1-3-5-6-11-10(4-2)9(7-12)8-13-11/h3-8H,1-2H3/b5-3-,10-4-,11-6+
InChIKeyWQPYISYSMNKILW-IQCZZKFESA-N
MW176.21 g/mol
LogP1.25
Rot. Bonds2

About (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde

(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde (PubChem CID 143829756) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde.

Molecular Properties

Compound Name(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde
PubChem CID143829756
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde
SMILESC/C=C\C=c1\occ(C=O)\c1=C\C
InChIInChI=1S/C11H12O2/c1-3-5-6-11-10(4-2)9(7-12)8-13-11/h3-8H,1-2H3/b5-3-,10-4-,11-6+
InChIKeyWQPYISYSMNKILW-IQCZZKFESA-N
XLogP1.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde?
The IUPAC name of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde (CID 143829756) is (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde.
What is the SMILES notation for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde?
The canonical SMILES for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde is C/C=C\C=c1\occ(C=O)\c1=C\C.
What is the InChIKey of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde?
The InChIKey is WQPYISYSMNKILW-IQCZZKFESA-N. The full InChI is InChI=1S/C11H12O2/c1-3-5-6-11-10(4-2)9(7-12)8-13-11/h3-8H,1-2H3/b5-3-,10-4-,11-6+.
What are the key properties of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde?
(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde has a molecular weight of 176.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenefuran-3-carbaldehyde is sourced from PubChem (CID 143829756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).