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

C12H12O2 — CID 143829789

IUPAC(4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde
SMILESC=C/C=c1/occ(C=O)/c1=C/C=C\C
InChIInChI=1S/C12H12O2/c1-3-5-7-11-10(8-13)9-14-12(11)6-4-2/h3-9H,2H2,1H3/b5-3-,11-7-,12-6+
InChIKeyQEDIHLLNUQFTER-FVJQXCRCSA-N
MW188.23 g/mol
LogP1.42
Rot. Bonds3

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

(4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde (PubChem CID 143829789) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde.

Molecular Properties

Compound Name(4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde
PubChem CID143829789
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde
SMILESC=C/C=c1/occ(C=O)/c1=C/C=C\C
InChIInChI=1S/C12H12O2/c1-3-5-7-11-10(8-13)9-14-12(11)6-4-2/h3-9H,2H2,1H3/b5-3-,11-7-,12-6+
InChIKeyQEDIHLLNUQFTER-FVJQXCRCSA-N
XLogP1.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-2-enylidene-4-methyl-3-methylidenefuran
CID 123322434
(5Z,6E)-5-[(Z)-but-2-enylidene]-3-methyl-6-prop-2-enylidenepyran-2-one
CID 144546510
(2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene
CID 178113127
(4E,5E)-4-[(Z)-but-2-enylidene]-2,2-difluoro-5-prop-2-enylidene-1,3-dioxolane
CID 143149854
4-[[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-(methylaminomethylidene)furan-3-yl]amino]-N-methyl-5-oxopentanamide
CID 177318652
5,8-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975
acetaldehyde;ethane;ethene;(3Z)-penta-1,3-diene
CID 143978437
ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one
CID 143080732
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
(3E)-penta-1,3-diene
CID 71777643
5-fluoro-1-benzofuran-3-carbaldehyde
CID 25129802
ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one
CID 142874632

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde?
The IUPAC name of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde (CID 143829789) is (4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde.
What is the SMILES notation for (4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde?
The canonical SMILES for (4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde is C=C/C=c1/occ(C=O)/c1=C/C=C\C.
What is the InChIKey of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde?
The InChIKey is QEDIHLLNUQFTER-FVJQXCRCSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-5-7-11-10(8-13)9-14-12(11)6-4-2/h3-9H,2H2,1H3/b5-3-,11-7-,12-6+.
What are the key properties of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde?
(4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidenefuran-3-carbaldehyde is sourced from PubChem (CID 143829789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).