(5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one

C11H12O2 — CID 139587167

IUPAC(5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one
SMILESC/C=C/C=C1\C=C(/C=C/C)C(=O)O1
InChIInChI=1S/C11H12O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-8H,1-2H3/b5-3+,6-4+,10-7+
InChIKeyUTMKJYVBEKRSSY-FQXJPFFWSA-N
MW176.21 g/mol
LogP2.51
Rot. Bonds2

About (5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one

(5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one (PubChem CID 139587167) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one.

Molecular Properties

Compound Name(5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one
PubChem CID139587167
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one
SMILESC/C=C/C=C1\C=C(/C=C/C)C(=O)O1
InChIInChI=1S/C11H12O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-8H,1-2H3/b5-3+,6-4+,10-7+
InChIKeyUTMKJYVBEKRSSY-FQXJPFFWSA-N
XLogP2.51
TPSA26.30 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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ligustilide
CID 5319022
Mesitene lactone
CID 12662
3,4-Dimethyl-5-pentylidenefuran-2(5H)-one
CID 13051
Bovolide
CID 6433214
2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
CID 162589
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
CID 170485
Nectriapyrone
CID 5358550
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
CID 5877292
Nigerapyrone D
CID 53483953
Nigerapyrone E
CID 53483954
4-Methyl-6-(2-methylprop-1-en-1-yl)-2H-pyran-2-one
CID 13480869
Lissoclinolide
CID 5472800

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one?
The IUPAC name of (5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one (CID 139587167) is (5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one.
What is the SMILES notation for (5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one?
The canonical SMILES for (5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one is C/C=C/C=C1\C=C(/C=C/C)C(=O)O1.
What is the InChIKey of (5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one?
The InChIKey is UTMKJYVBEKRSSY-FQXJPFFWSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-8H,1-2H3/b5-3+,6-4+,10-7+.
What are the key properties of (5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one?
(5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one has a molecular weight of 176.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-but-2-enylidene]-3-[(E)-prop-1-enyl]furan-2-one is sourced from PubChem (CID 139587167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).