ethyl 2-(furan-2-carbonyl)-3-oxobutanoate

C11H12O5 — CID 2759235

IUPACethyl 2-(furan-2-carbonyl)-3-oxobutanoate
SMILESCCOC(=O)C(C(C)=O)C(=O)c1ccco1
InChIInChI=1S/C11H12O5/c1-3-15-11(14)9(7(2)12)10(13)8-5-4-6-16-8/h4-6,9H,3H2,1-2H3
InChIKeyFMWDBBDGFITFLO-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.23
Rot. Bonds5

About ethyl 2-(furan-2-carbonyl)-3-oxobutanoate

ethyl 2-(furan-2-carbonyl)-3-oxobutanoate (PubChem CID 2759235) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is ethyl 2-(furan-2-carbonyl)-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 2-(furan-2-carbonyl)-3-oxobutanoate
PubChem CID2759235
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Nameethyl 2-(furan-2-carbonyl)-3-oxobutanoate
SMILESCCOC(=O)C(C(C)=O)C(=O)c1ccco1
InChIInChI=1S/C11H12O5/c1-3-15-11(14)9(7(2)12)10(13)8-5-4-6-16-8/h4-6,9H,3H2,1-2H3
InChIKeyFMWDBBDGFITFLO-UHFFFAOYSA-N
XLogP1.23
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-benzyl-3-(furan-2-yl)-3-oxopropanoate
CID 3804703
ethyl (3S)-4-(furan-2-yl)-3-methyl-4-oxobutanoate
CID 134968543
ethyl (2R)-2-[4-[(2R)-2-ethoxycarbonyl-3-oxobutanoyl]benzoyl]-3-oxobutanoate
CID 98056291
ethyl 2-diethoxyphosphoryl-3-(furan-2-yl)-3-oxopropanoate
CID 10591620
2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528
ethyl 3-(furan-2-yl)-2,2-dimethyl-3-oxopropanoate;ethyl 3-(furan-2-yl)-2-methyl-3-oxopropanoate
CID 159262713
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
ethyl (2S)-3-oxo-2-(thiophene-2-carbonyl)butanoate
CID 98044566
ethyl 3-oxo-2-(4-phenylbenzoyl)butanoate
CID 2756667
1-(furan-2-yl)-2-(hydroxymethyl)hexan-1-one
CID 45101558
2-bromo-1-(furan-2-yl)butan-1-one
CID 45081165

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-carbonyl)-3-oxobutanoate?
The IUPAC name of ethyl 2-(furan-2-carbonyl)-3-oxobutanoate (CID 2759235) is ethyl 2-(furan-2-carbonyl)-3-oxobutanoate.
What is the SMILES notation for ethyl 2-(furan-2-carbonyl)-3-oxobutanoate?
The canonical SMILES for ethyl 2-(furan-2-carbonyl)-3-oxobutanoate is CCOC(=O)C(C(C)=O)C(=O)c1ccco1.
What is the InChIKey of ethyl 2-(furan-2-carbonyl)-3-oxobutanoate?
The InChIKey is FMWDBBDGFITFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-3-15-11(14)9(7(2)12)10(13)8-5-4-6-16-8/h4-6,9H,3H2,1-2H3.
What are the key properties of ethyl 2-(furan-2-carbonyl)-3-oxobutanoate?
ethyl 2-(furan-2-carbonyl)-3-oxobutanoate has a molecular weight of 224.21 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-carbonyl)-3-oxobutanoate is sourced from PubChem (CID 2759235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).