ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate

C9H10O5 — CID 54677928

IUPACethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate
SMILESC=CC1OC(=O)C(O)=C1C(=O)OCC
InChIInChI=1S/C9H10O5/c1-3-5-6(8(11)13-4-2)7(10)9(12)14-5/h3,5,10H,1,4H2,2H3
InChIKeyGPXSVQDQIVLRFS-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.47
Rot. Bonds3

About ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate

ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate (PubChem CID 54677928) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate
PubChem CID54677928
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Nameethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate
SMILESC=CC1OC(=O)C(O)=C1C(=O)OCC
InChIInChI=1S/C9H10O5/c1-3-5-6(8(11)13-4-2)7(10)9(12)14-5/h3,5,10H,1,4H2,2H3
InChIKeyGPXSVQDQIVLRFS-UHFFFAOYSA-N
XLogP0.47
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2(5H)-Furanone, 3-hydroxy-4-(4-methyl-1-oxo-2-pentenyl)-, compd. with lysine (1:1)
CID 6446911
Gazykofndqhyrb-uhfffaoysa-
CID 10867374
ethyl (2Z)-2-(4-hydroxy-5-oxo-3-prop-2-enylfuran-2-ylidene)acetate
CID 54695781
methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate
CID 54703187
Hkudfflygmmkkq-vurmdhgxsa-
CID 5356390
methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]propanoate
CID 100958240
methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate
CID 102425346
5-Hydroxy-4-methoxy-5-carboethoxy-2-pentenal
CID 129778274
(2S)-4-but-2-enyl-3-hydroxy-2-methyl-2H-furan-5-one
CID 134855300
methyl (2R)-2-hydroxy-2-(5-oxo-2H-furan-2-yl)propanoate
CID 134859009
methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate
CID 135037274
methyl 2-but-3-enyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate
CID 139257714

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate?
The IUPAC name of ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate (CID 54677928) is ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate.
What is the SMILES notation for ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate?
The canonical SMILES for ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate is C=CC1OC(=O)C(O)=C1C(=O)OCC.
What is the InChIKey of ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate?
The InChIKey is GPXSVQDQIVLRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-3-5-6(8(11)13-4-2)7(10)9(12)14-5/h3,5,10H,1,4H2,2H3.
What are the key properties of ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate?
ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate has a molecular weight of 198.17 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate is sourced from PubChem (CID 54677928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).