methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate

C12H14O4 — CID 805526

IUPACmethyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C[C@H]2CCCC2=O)o1
InChIInChI=1S/C12H14O4/c1-15-12(14)11-6-5-9(16-11)7-8-3-2-4-10(8)13/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyPLTMWDJLYFXKEE-MRVPVSSYSA-N
MW222.24 g/mol
LogP1.98
Rot. Bonds3

About methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate

methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate (PubChem CID 805526) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate
PubChem CID805526
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C[C@H]2CCCC2=O)o1
InChIInChI=1S/C12H14O4/c1-15-12(14)11-6-5-9(16-11)7-8-3-2-4-10(8)13/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyPLTMWDJLYFXKEE-MRVPVSSYSA-N
XLogP1.98
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate (CID 805526) is methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate is COC(=O)c1ccc(C[C@H]2CCCC2=O)o1.
What is the InChIKey of methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate?
The InChIKey is PLTMWDJLYFXKEE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14O4/c1-15-12(14)11-6-5-9(16-11)7-8-3-2-4-10(8)13/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate?
methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1R)-2-oxocyclopentyl]methyl]furan-2-carboxylate is sourced from PubChem (CID 805526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).