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

C12H21N3O — CID 58248210

IUPAC1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one
SMILESCCN1CC2(CC3CCC(C2)N3C)NC1=O
InChIInChI=1S/C12H21N3O/c1-3-15-8-12(13-11(15)16)6-9-4-5-10(7-12)14(9)2/h9-10H,3-8H2,1-2H3,(H,13,16)
InChIKeyGYAPSVNNQGOHGG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.03
Rot. Bonds1

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

1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one (PubChem CID 58248210) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one.

Molecular Properties

Compound Name1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one
PubChem CID58248210
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one
SMILESCCN1CC2(CC3CCC(C2)N3C)NC1=O
InChIInChI=1S/C12H21N3O/c1-3-15-8-12(13-11(15)16)6-9-4-5-10(7-12)14(9)2/h9-10H,3-8H2,1-2H3,(H,13,16)
InChIKeyGYAPSVNNQGOHGG-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one?
The IUPAC name of 1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one (CID 58248210) is 1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one.
What is the SMILES notation for 1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one?
The canonical SMILES for 1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one is CCN1CC2(CC3CCC(C2)N3C)NC1=O.
What is the InChIKey of 1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one?
The InChIKey is GYAPSVNNQGOHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15-8-12(13-11(15)16)6-9-4-5-10(7-12)14(9)2/h9-10H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one?
1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one has a molecular weight of 223.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-8-methylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one is sourced from PubChem (CID 58248210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).