1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione

C11H16N2O3 — CID 66213508

IUPAC1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione
SMILESNC1C2CCCOC2C1N1C(=O)CCC1=O
InChIInChI=1S/C11H16N2O3/c12-9-6-2-1-5-16-11(6)10(9)13-7(14)3-4-8(13)15/h6,9-11H,1-5,12H2
InChIKeyCSNXXIYNWMIJHL-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.36
Rot. Bonds1

About 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione

1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione (PubChem CID 66213508) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione
PubChem CID66213508
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione
SMILESNC1C2CCCOC2C1N1C(=O)CCC1=O
InChIInChI=1S/C11H16N2O3/c12-9-6-2-1-5-16-11(6)10(9)13-7(14)3-4-8(13)15/h6,9-11H,1-5,12H2
InChIKeyCSNXXIYNWMIJHL-UHFFFAOYSA-N
XLogP-0.36
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
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-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione (CID 66213508) is 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione is NC1C2CCCOC2C1N1C(=O)CCC1=O.
What is the InChIKey of 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione?
The InChIKey is CSNXXIYNWMIJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-9-6-2-1-5-16-11(6)10(9)13-7(14)3-4-8(13)15/h6,9-11H,1-5,12H2.
What are the key properties of 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione?
1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione has a molecular weight of 224.26 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 66213508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).