5-oxo-4-prop-2-enyl-2H-furan-3-olate

C7H7O3- — CID 134830830

IUPAC5-oxo-4-prop-2-enyl-2H-furan-3-olate
SMILESC=CCC1=C([O-])COC1=O
InChIInChI=1S/C7H8O3/c1-2-3-5-6(8)4-10-7(5)9/h2,8H,1,3-4H2/p-1
InChIKeyRNDJBLPUWXLEOH-UHFFFAOYSA-M
MW139.13 g/mol
LogP-0.27
Rot. Bonds2

About 5-oxo-4-prop-2-enyl-2H-furan-3-olate

5-oxo-4-prop-2-enyl-2H-furan-3-olate (PubChem CID 134830830) has the molecular formula C7H7O3- and a molecular weight of 139.13 g/mol. Its IUPAC name is 5-oxo-4-prop-2-enyl-2H-furan-3-olate.

Molecular Properties

Compound Name5-oxo-4-prop-2-enyl-2H-furan-3-olate
PubChem CID134830830
Molecular FormulaC7H7O3-
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name5-oxo-4-prop-2-enyl-2H-furan-3-olate
SMILESC=CCC1=C([O-])COC1=O
InChIInChI=1S/C7H8O3/c1-2-3-5-6(8)4-10-7(5)9/h2,8H,1,3-4H2/p-1
InChIKeyRNDJBLPUWXLEOH-UHFFFAOYSA-M
XLogP-0.27
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Prop-2-en-1-yl)furan-2(5H)-one
CID 70003539
2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one
CID 14200711
(2S)-4-but-2-enyl-3-hydroxy-2-methyl-2H-furan-5-one
CID 134855300
Ethyl 2-acetylpent-4-enoate, sodium salt
CID 119057904
4-Hydroxy-3-(3-methylbut-2-en-1-yl)furan-2(5H)-one
CID 54714460
Gmhrgcmrmqzrqs-uhfffaoysa-
CID 11564560
Ffvzdrodvldxoy-uhfffaoysa-
CID 11586438
Iqibandkpvdtga-uhfffaoysa-
CID 11665464
3-Hydroxy-4-prop-2-enylfuran-2,5-dione
CID 54678505
(2S)-4-[(E)-but-2-enyl]-3-hydroxy-2-methyl-2H-furan-5-one
CID 54708429
3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one
CID 86054326
3-methyl-4-[(Z)-pent-2-enyl]-2H-furan-5-one
CID 9898928

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-prop-2-enyl-2H-furan-3-olate?
The IUPAC name of 5-oxo-4-prop-2-enyl-2H-furan-3-olate (CID 134830830) is 5-oxo-4-prop-2-enyl-2H-furan-3-olate.
What is the SMILES notation for 5-oxo-4-prop-2-enyl-2H-furan-3-olate?
The canonical SMILES for 5-oxo-4-prop-2-enyl-2H-furan-3-olate is C=CCC1=C([O-])COC1=O.
What is the InChIKey of 5-oxo-4-prop-2-enyl-2H-furan-3-olate?
The InChIKey is RNDJBLPUWXLEOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O3/c1-2-3-5-6(8)4-10-7(5)9/h2,8H,1,3-4H2/p-1.
What are the key properties of 5-oxo-4-prop-2-enyl-2H-furan-3-olate?
5-oxo-4-prop-2-enyl-2H-furan-3-olate has a molecular weight of 139.13 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-prop-2-enyl-2H-furan-3-olate is sourced from PubChem (CID 134830830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).