(2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate

C11H13NO4 — CID 2351711

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C11H13NO4/c13-10(12-5-1-2-6-12)8-16-11(14)9-4-3-7-15-9/h3-4,7H,1-2,5-6,8H2
InChIKeyQITWVRUQHZXGBP-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.06
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate (PubChem CID 2351711) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate
PubChem CID2351711
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C11H13NO4/c13-10(12-5-1-2-6-12)8-16-11(14)9-4-3-7-15-9/h3-4,7H,1-2,5-6,8H2
InChIKeyQITWVRUQHZXGBP-UHFFFAOYSA-N
XLogP1.06
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate (CID 2351711) is (2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate is O=C(OCC(=O)N1CCCC1)c1ccco1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate?
The InChIKey is QITWVRUQHZXGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-10(12-5-1-2-6-12)8-16-11(14)9-4-3-7-15-9/h3-4,7H,1-2,5-6,8H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate is sourced from PubChem (CID 2351711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).