1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione

C14H22N2O3 — CID 66210549

IUPAC1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2C(N)C3CCOC32)C1=O
InChIInChI=1S/C14H22N2O3/c1-3-14(4-2)7-9(17)16(13(14)18)11-10(15)8-5-6-19-12(8)11/h8,10-12H,3-7,15H2,1-2H3
InChIKeyLSMRZCXVVYCINR-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.67
Rot. Bonds3

About 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione

1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 66210549) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione
PubChem CID66210549
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2C(N)C3CCOC32)C1=O
InChIInChI=1S/C14H22N2O3/c1-3-14(4-2)7-9(17)16(13(14)18)11-10(15)8-5-6-19-12(8)11/h8,10-12H,3-7,15H2,1-2H3
InChIKeyLSMRZCXVVYCINR-UHFFFAOYSA-N
XLogP0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.67
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-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione (CID 66210549) is 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(C2C(N)C3CCOC32)C1=O.
What is the InChIKey of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is LSMRZCXVVYCINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-14(4-2)7-9(17)16(13(14)18)11-10(15)8-5-6-19-12(8)11/h8,10-12H,3-7,15H2,1-2H3.
What are the key properties of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione?
1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 266.34 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 66210549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).