ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate

C10H10O4 — CID 43839823

IUPACethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate
SMILESCCOC(=O)c1coc2c1C(=O)CC2
InChIInChI=1S/C10H10O4/c1-2-13-10(12)6-5-14-8-4-3-7(11)9(6)8/h5H,2-4H2,1H3
InChIKeyAZCOJFWEXMORID-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.59
Rot. Bonds2

About ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate

ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate (PubChem CID 43839823) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate
PubChem CID43839823
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Nameethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate
SMILESCCOC(=O)c1coc2c1C(=O)CC2
InChIInChI=1S/C10H10O4/c1-2-13-10(12)6-5-14-8-4-3-7(11)9(6)8/h5H,2-4H2,1H3
InChIKeyAZCOJFWEXMORID-UHFFFAOYSA-N
XLogP1.59
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate?
The IUPAC name of ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate (CID 43839823) is ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate is CCOC(=O)c1coc2c1C(=O)CC2.
What is the InChIKey of ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate?
The InChIKey is AZCOJFWEXMORID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-2-13-10(12)6-5-14-8-4-3-7(11)9(6)8/h5H,2-4H2,1H3.
What are the key properties of ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate?
ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate has a molecular weight of 194.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate is sourced from PubChem (CID 43839823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).