5-methylidene-3-prop-2-enylfuran-2-one

C8H8O2 — CID 69247747

IUPAC5-methylidene-3-prop-2-enylfuran-2-one
SMILESC=CCC1=CC(=C)OC1=O
InChIInChI=1S/C8H8O2/c1-3-4-7-5-6(2)10-8(7)9/h3,5H,1-2,4H2
InChIKeyFSLVLHJEZMEICE-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.56
Rot. Bonds2

About 5-methylidene-3-prop-2-enylfuran-2-one

5-methylidene-3-prop-2-enylfuran-2-one (PubChem CID 69247747) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 5-methylidene-3-prop-2-enylfuran-2-one.

Molecular Properties

Compound Name5-methylidene-3-prop-2-enylfuran-2-one
PubChem CID69247747
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name5-methylidene-3-prop-2-enylfuran-2-one
SMILESC=CCC1=CC(=C)OC1=O
InChIInChI=1S/C8H8O2/c1-3-4-7-5-6(2)10-8(7)9/h3,5H,1-2,4H2
InChIKeyFSLVLHJEZMEICE-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-methylidenefuran-2-one
CID 11030335
3-prop-2-enylpyrrole-2,5-dione
CID 19422330
2-ethyl-5-prop-2-enylcyclohexa-2,5-diene-1,4-dione
CID 90362391
3-prop-2-enylpyrrole-2,5-dione;hydrobromide
CID 174703436
3-prop-2-enylnaphthalene-1,2-dione
CID 11252602
3-bromo-5-methylidene-4-prop-2-enylfuran-2-one
CID 69175077
2-(2-methylpropyl)-5-prop-2-enylcyclohexa-2,5-diene-1,4-dione
CID 90361331
2-methoxy-5-prop-2-enylcyclohexa-2,5-diene-1,4-dione
CID 5314861
(2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
CID 71421512
3-methyl-4-prop-2-enylfuran-2,5-dione
CID 22562792
2-methoxy-6-prop-2-enylcyclohexa-2,5-diene-1,4-dione
CID 5001295
3-prop-2-enylcyclopent-2-en-1-one
CID 11988999

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-prop-2-enylfuran-2-one?
The IUPAC name of 5-methylidene-3-prop-2-enylfuran-2-one (CID 69247747) is 5-methylidene-3-prop-2-enylfuran-2-one.
What is the SMILES notation for 5-methylidene-3-prop-2-enylfuran-2-one?
The canonical SMILES for 5-methylidene-3-prop-2-enylfuran-2-one is C=CCC1=CC(=C)OC1=O.
What is the InChIKey of 5-methylidene-3-prop-2-enylfuran-2-one?
The InChIKey is FSLVLHJEZMEICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-3-4-7-5-6(2)10-8(7)9/h3,5H,1-2,4H2.
What are the key properties of 5-methylidene-3-prop-2-enylfuran-2-one?
5-methylidene-3-prop-2-enylfuran-2-one has a molecular weight of 136.15 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-prop-2-enylfuran-2-one is sourced from PubChem (CID 69247747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).