methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate

C10H11NO4 — CID 101198759

IUPACmethyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2=O)o1
InChIInChI=1S/C10H11NO4/c1-14-10(13)7-4-5-9(15-7)11-6-2-3-8(11)12/h4-5H,2-3,6H2,1H3
InChIKeyRQKNJZWLEVWAPV-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.19
Rot. Bonds2

About methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate

methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate (PubChem CID 101198759) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate
PubChem CID101198759
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2=O)o1
InChIInChI=1S/C10H11NO4/c1-14-10(13)7-4-5-9(15-7)11-6-2-3-8(11)12/h4-5H,2-3,6H2,1H3
InChIKeyRQKNJZWLEVWAPV-UHFFFAOYSA-N
XLogP1.19
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate (CID 101198759) is methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate is COC(=O)c1ccc(N2CCCC2=O)o1.
What is the InChIKey of methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate?
The InChIKey is RQKNJZWLEVWAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-10(13)7-4-5-9(15-7)11-6-2-3-8(11)12/h4-5H,2-3,6H2,1H3.
What are the key properties of methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate?
methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate has a molecular weight of 209.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate is sourced from PubChem (CID 101198759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).