ethyl 3-(furan-3-yl)-2-oxopropanoate

C9H10O4 — CID 54299973

IUPACethyl 3-(furan-3-yl)-2-oxopropanoate
SMILESCCOC(=O)C(=O)Cc1ccoc1
InChIInChI=1S/C9H10O4/c1-2-13-9(11)8(10)5-7-3-4-12-6-7/h3-4,6H,2,5H2,1H3
InChIKeySDMNRYRESUARRF-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.95
Rot. Bonds4

About ethyl 3-(furan-3-yl)-2-oxopropanoate

ethyl 3-(furan-3-yl)-2-oxopropanoate (PubChem CID 54299973) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is ethyl 3-(furan-3-yl)-2-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-(furan-3-yl)-2-oxopropanoate
PubChem CID54299973
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Nameethyl 3-(furan-3-yl)-2-oxopropanoate
SMILESCCOC(=O)C(=O)Cc1ccoc1
InChIInChI=1S/C9H10O4/c1-2-13-9(11)8(10)5-7-3-4-12-6-7/h3-4,6H,2,5H2,1H3
InChIKeySDMNRYRESUARRF-UHFFFAOYSA-N
XLogP0.95
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate
CID 83057034
ethyl 4-(furan-3-ylmethyl)benzoate
CID 101411930
3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one
CID 116746851
ethyl 3-(4-nitrophenyl)-2-oxopropanoate
CID 15716402
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
2-ethoxy-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61216289
2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
4-amino-1-(furan-3-yl)pentan-2-one
CID 116555995
ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
CID 105422133
ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxopropanoate
CID 18370574
furan-3-ylmethyl N-methylcarbamate
CID 57025329

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-3-yl)-2-oxopropanoate?
The IUPAC name of ethyl 3-(furan-3-yl)-2-oxopropanoate (CID 54299973) is ethyl 3-(furan-3-yl)-2-oxopropanoate.
What is the SMILES notation for ethyl 3-(furan-3-yl)-2-oxopropanoate?
The canonical SMILES for ethyl 3-(furan-3-yl)-2-oxopropanoate is CCOC(=O)C(=O)Cc1ccoc1.
What is the InChIKey of ethyl 3-(furan-3-yl)-2-oxopropanoate?
The InChIKey is SDMNRYRESUARRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-2-13-9(11)8(10)5-7-3-4-12-6-7/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 3-(furan-3-yl)-2-oxopropanoate?
ethyl 3-(furan-3-yl)-2-oxopropanoate has a molecular weight of 182.17 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-3-yl)-2-oxopropanoate is sourced from PubChem (CID 54299973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).