(5Z)-5-[(E)-but-2-enylidene]furan-2-one

C8H8O2 — CID 134862412

IUPAC(5Z)-5-[(E)-but-2-enylidene]furan-2-one
SMILESC/C=C/C=C1/C=CC(=O)O1
InChIInChI=1S/C8H8O2/c1-2-3-4-7-5-6-8(9)10-7/h2-6H,1H3/b3-2+,7-4-
InChIKeyJMNOOZOQAYKJTQ-SWBALALESA-N
MW136.15 g/mol
LogP1.56
Rot. Bonds1

About (5Z)-5-[(E)-but-2-enylidene]furan-2-one

(5Z)-5-[(E)-but-2-enylidene]furan-2-one (PubChem CID 134862412) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (5Z)-5-[(E)-but-2-enylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-but-2-enylidene]furan-2-one
PubChem CID134862412
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(5Z)-5-[(E)-but-2-enylidene]furan-2-one
SMILESC/C=C/C=C1/C=CC(=O)O1
InChIInChI=1S/C8H8O2/c1-2-3-4-7-5-6-8(9)10-7/h2-6H,1H3/b3-2+,7-4-
InChIKeyJMNOOZOQAYKJTQ-SWBALALESA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl sorbate
CID 1550470
Allyl sorbate
CID 6435833
Methyltriacetolactone
CID 12651
Protoanemonin
CID 66948
Propyl sorbate
CID 5368950
Crotonic anhydride
CID 6049834
2,5-Furandione, polymer with 1,3-butadiene
CID 168405
2,4-Hexadienoic acid, 1-methylethyl ester
CID 5368972
2-Butenoic acid, 1,1'-anhydride
CID 12189
Ethyl hexa-2,4-dienoate
CID 16970
Matricaria lactone
CID 6277481
2(5H)-Furanone,4-hexadiynylidene)-
CID 5380631

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-but-2-enylidene]furan-2-one?
The IUPAC name of (5Z)-5-[(E)-but-2-enylidene]furan-2-one (CID 134862412) is (5Z)-5-[(E)-but-2-enylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[(E)-but-2-enylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[(E)-but-2-enylidene]furan-2-one is C/C=C/C=C1/C=CC(=O)O1.
What is the InChIKey of (5Z)-5-[(E)-but-2-enylidene]furan-2-one?
The InChIKey is JMNOOZOQAYKJTQ-SWBALALESA-N. The full InChI is InChI=1S/C8H8O2/c1-2-3-4-7-5-6-8(9)10-7/h2-6H,1H3/b3-2+,7-4-.
What are the key properties of (5Z)-5-[(E)-but-2-enylidene]furan-2-one?
(5Z)-5-[(E)-but-2-enylidene]furan-2-one has a molecular weight of 136.15 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-but-2-enylidene]furan-2-one is sourced from PubChem (CID 134862412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).