1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one

C11H14N2O3 — CID 177390794

IUPAC1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one
SMILESCC(O/N=C/c1ccco1)N1CCCC1=O
InChIInChI=1S/C11H14N2O3/c1-9(13-6-2-5-11(13)14)16-12-8-10-4-3-7-15-10/h3-4,7-9H,2,5-6H2,1H3/b12-8+
InChIKeyIUPXDRCZKKAMAW-XYOKQWHBSA-N
MW222.24 g/mol
LogP1.60
Rot. Bonds4

About 1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one

1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one (PubChem CID 177390794) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one
PubChem CID177390794
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one
SMILESCC(O/N=C/c1ccco1)N1CCCC1=O
InChIInChI=1S/C11H14N2O3/c1-9(13-6-2-5-11(13)14)16-12-8-10-4-3-7-15-10/h3-4,7-9H,2,5-6H2,1H3/b12-8+
InChIKeyIUPXDRCZKKAMAW-XYOKQWHBSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one (CID 177390794) is 1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one is CC(O/N=C/c1ccco1)N1CCCC1=O.
What is the InChIKey of 1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one?
The InChIKey is IUPXDRCZKKAMAW-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-9(13-6-2-5-11(13)14)16-12-8-10-4-3-7-15-10/h3-4,7-9H,2,5-6H2,1H3/b12-8+.
What are the key properties of 1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one?
1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one has a molecular weight of 222.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 177390794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).