1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione

C13H16N2O3 — CID 121183897

IUPAC1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione
SMILESCC(c1ccco1)N1CC(N2C(=O)CCC2=O)C1
InChIInChI=1S/C13H16N2O3/c1-9(11-3-2-6-18-11)14-7-10(8-14)15-12(16)4-5-13(15)17/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyJKACZHXQMFOOKE-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.17
Rot. Bonds3

About 1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione

1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione (PubChem CID 121183897) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione
PubChem CID121183897
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione
SMILESCC(c1ccco1)N1CC(N2C(=O)CCC2=O)C1
InChIInChI=1S/C13H16N2O3/c1-9(11-3-2-6-18-11)14-7-10(8-14)15-12(16)4-5-13(15)17/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyJKACZHXQMFOOKE-UHFFFAOYSA-N
XLogP1.17
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione (CID 121183897) is 1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione is CC(c1ccco1)N1CC(N2C(=O)CCC2=O)C1.
What is the InChIKey of 1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione?
The InChIKey is JKACZHXQMFOOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(11-3-2-6-18-11)14-7-10(8-14)15-12(16)4-5-13(15)17/h2-3,6,9-10H,4-5,7-8H2,1H3.
What are the key properties of 1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione?
1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(furan-2-yl)ethyl]azetidin-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 121183897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).