(5E)-5-(3-methylbut-2-enylidene)furan-2-one

C9H10O2 — CID 102402340

IUPAC(5E)-5-(3-methylbut-2-enylidene)furan-2-one
SMILESCC(C)=C/C=C1\C=CC(=O)O1
InChIInChI=1S/C9H10O2/c1-7(2)3-4-8-5-6-9(10)11-8/h3-6H,1-2H3/b8-4+
InChIKeyBTUJLTBAFUKWGY-XBXARRHUSA-N
MW150.18 g/mol
LogP1.95
Rot. Bonds1

About (5E)-5-(3-methylbut-2-enylidene)furan-2-one

(5E)-5-(3-methylbut-2-enylidene)furan-2-one (PubChem CID 102402340) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (5E)-5-(3-methylbut-2-enylidene)furan-2-one.

Molecular Properties

Compound Name(5E)-5-(3-methylbut-2-enylidene)furan-2-one
PubChem CID102402340
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(5E)-5-(3-methylbut-2-enylidene)furan-2-one
SMILESCC(C)=C/C=C1\C=CC(=O)O1
InChIInChI=1S/C9H10O2/c1-7(2)3-4-8-5-6-9(10)11-8/h3-6H,1-2H3/b8-4+
InChIKeyBTUJLTBAFUKWGY-XBXARRHUSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Protoanemonin
CID 66948
3-Methyl-5-methylidene-2,5-dihydrofuran-2-one
CID 151690
Matricaria lactone
CID 6277481
2(5H)-Furanone,4-hexadiynylidene)-
CID 5380631
(4Z)-Lachnophyllum Lactone
CID 5380634
6-[(E)-prop-1-enyl]-pyran-2-one
CID 24972239
2-Methyl-cis-dienelactone
CID 25244681
2-Methyl-trans-dienelactone
CID 25246089
(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one
CID 6475136
Furan-2,5-dione; 2-methylbuta-1,3-diene
CID 287852
t-Butyl sorbate
CID 11084286
5-Methyl-sorbic Acid Ethyl Ester
CID 12277545

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(3-methylbut-2-enylidene)furan-2-one?
The IUPAC name of (5E)-5-(3-methylbut-2-enylidene)furan-2-one (CID 102402340) is (5E)-5-(3-methylbut-2-enylidene)furan-2-one.
What is the SMILES notation for (5E)-5-(3-methylbut-2-enylidene)furan-2-one?
The canonical SMILES for (5E)-5-(3-methylbut-2-enylidene)furan-2-one is CC(C)=C/C=C1\C=CC(=O)O1.
What is the InChIKey of (5E)-5-(3-methylbut-2-enylidene)furan-2-one?
The InChIKey is BTUJLTBAFUKWGY-XBXARRHUSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(2)3-4-8-5-6-9(10)11-8/h3-6H,1-2H3/b8-4+.
What are the key properties of (5E)-5-(3-methylbut-2-enylidene)furan-2-one?
(5E)-5-(3-methylbut-2-enylidene)furan-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(3-methylbut-2-enylidene)furan-2-one is sourced from PubChem (CID 102402340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).