[5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate

C14H13NO6 — CID 90081788

IUPAC[5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCC2=O)oc(-c2ccco2)c1O
InChIInChI=1S/C14H13NO6/c1-8(16)20-13-11(18)12(9-4-3-7-19-9)21-14(13)15-6-2-5-10(15)17/h3-4,7,18H,2,5-6H2,1H3
InChIKeySXPHWGXCUJZTDA-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.30
Rot. Bonds3

About [5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate

[5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (PubChem CID 90081788) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is [5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
PubChem CID90081788
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Name[5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCC2=O)oc(-c2ccco2)c1O
InChIInChI=1S/C14H13NO6/c1-8(16)20-13-11(18)12(9-4-3-7-19-9)21-14(13)15-6-2-5-10(15)17/h3-4,7,18H,2,5-6H2,1H3
InChIKeySXPHWGXCUJZTDA-UHFFFAOYSA-N
XLogP2.30
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The IUPAC name of [5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (CID 90081788) is [5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.
What is the SMILES notation for [5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The canonical SMILES for [5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is CC(=O)Oc1c(N2CCCC2=O)oc(-c2ccco2)c1O.
What is the InChIKey of [5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The InChIKey is SXPHWGXCUJZTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6/c1-8(16)20-13-11(18)12(9-4-3-7-19-9)21-14(13)15-6-2-5-10(15)17/h3-4,7,18H,2,5-6H2,1H3.
What are the key properties of [5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
[5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate has a molecular weight of 291.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is sourced from PubChem (CID 90081788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).