5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one

C12H21N3O — CID 83250294

IUPAC5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one
SMILESCCC1NCN(C2CCN3CCCC23)C1=O
InChIInChI=1S/C12H21N3O/c1-2-9-12(16)15(8-13-9)11-5-7-14-6-3-4-10(11)14/h9-11,13H,2-8H2,1H3
InChIKeyXUAQHZVRARWABV-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds2

About 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one

5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one (PubChem CID 83250294) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one
PubChem CID83250294
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one
SMILESCCC1NCN(C2CCN3CCCC23)C1=O
InChIInChI=1S/C12H21N3O/c1-2-9-12(16)15(8-13-9)11-5-7-14-6-3-4-10(11)14/h9-11,13H,2-8H2,1H3
InChIKeyXUAQHZVRARWABV-UHFFFAOYSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one (CID 83250294) is 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one is CCC1NCN(C2CCN3CCCC23)C1=O.
What is the InChIKey of 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one?
The InChIKey is XUAQHZVRARWABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-9-12(16)15(8-13-9)11-5-7-14-6-3-4-10(11)14/h9-11,13H,2-8H2,1H3.
What are the key properties of 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one?
5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one has a molecular weight of 223.32 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one is sourced from PubChem (CID 83250294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).