1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one

C13H23N3O — CID 59827762

IUPAC1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one
SMILESCCN1CC2(CC3CCC(C2)N3)N(CC)C1=O
InChIInChI=1S/C13H23N3O/c1-3-15-9-13(16(4-2)12(15)17)7-10-5-6-11(8-13)14-10/h10-11,14H,3-9H2,1-2H3
InChIKeyPLALSXDGSNZVNN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.42
Rot. Bonds2

About 1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one

1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one (PubChem CID 59827762) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one.

Molecular Properties

Compound Name1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one
PubChem CID59827762
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one
SMILESCCN1CC2(CC3CCC(C2)N3)N(CC)C1=O
InChIInChI=1S/C13H23N3O/c1-3-15-9-13(16(4-2)12(15)17)7-10-5-6-11(8-13)14-10/h10-11,14H,3-9H2,1-2H3
InChIKeyPLALSXDGSNZVNN-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one?
The IUPAC name of 1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one (CID 59827762) is 1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one.
What is the SMILES notation for 1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one?
The canonical SMILES for 1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one is CCN1CC2(CC3CCC(C2)N3)N(CC)C1=O.
What is the InChIKey of 1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one?
The InChIKey is PLALSXDGSNZVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-15-9-13(16(4-2)12(15)17)7-10-5-6-11(8-13)14-10/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one?
1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one has a molecular weight of 237.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3'-diethylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one is sourced from PubChem (CID 59827762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).