1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione

C15H24N2O3 — CID 66212149

IUPAC1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2C(N)C3CCCOC32)C1=O
InChIInChI=1S/C15H24N2O3/c1-3-15(4-2)8-10(18)17(14(15)19)12-11(16)9-6-5-7-20-13(9)12/h9,11-13H,3-8,16H2,1-2H3
InChIKeyVAKLKXPWMLAHLB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.06
Rot. Bonds3

About 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione

1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 66212149) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione
PubChem CID66212149
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2C(N)C3CCCOC32)C1=O
InChIInChI=1S/C15H24N2O3/c1-3-15(4-2)8-10(18)17(14(15)19)12-11(16)9-6-5-7-20-13(9)12/h9,11-13H,3-8,16H2,1-2H3
InChIKeyVAKLKXPWMLAHLB-UHFFFAOYSA-N
XLogP1.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione with MolForge

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Related Compounds

5-[[(8,8-Dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]pyrrolidin-2-one
CID 64862879
1-[2-[(8,8-Dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propyl]pyrrolidin-2-one
CID 64863436
3-[(8,8-Dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 65687622
1-(2-Amino-4-ethoxycyclobutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 66196883
1-(6-Amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3-diethylpyrrolidine-2,5-dione
CID 66210549
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)cyclopentanecarboxamide
CID 66210556
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 66210570
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 66210572
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-methylbutanamide
CID 66210754
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dimethylbutanamide
CID 66210939
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide
CID 66211145
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 66211149

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione (CID 66212149) is 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(C2C(N)C3CCCOC32)C1=O.
What is the InChIKey of 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is VAKLKXPWMLAHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-15(4-2)8-10(18)17(14(15)19)12-11(16)9-6-5-7-20-13(9)12/h9,11-13H,3-8,16H2,1-2H3.
What are the key properties of 1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione?
1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of 1.06, 3 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)-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 66212149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).