3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one

C15H27N3O — CID 83249017

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(C2CCN3CCCCC23)C1=O
InChIInChI=1S/C15H27N3O/c1-3-6-12-15(19)18(11(2)16-12)14-8-10-17-9-5-4-7-13(14)17/h11-14,16H,3-10H2,1-2H3
InChIKeyWBVUUTGKTSAKTB-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.56
Rot. Bonds3

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one (PubChem CID 83249017) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one
PubChem CID83249017
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(C2CCN3CCCCC23)C1=O
InChIInChI=1S/C15H27N3O/c1-3-6-12-15(19)18(11(2)16-12)14-8-10-17-9-5-4-7-13(14)17/h11-14,16H,3-10H2,1-2H3
InChIKeyWBVUUTGKTSAKTB-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one (CID 83249017) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one is CCCC1NC(C)N(C2CCN3CCCCC23)C1=O.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one?
The InChIKey is WBVUUTGKTSAKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-6-12-15(19)18(11(2)16-12)14-8-10-17-9-5-4-7-13(14)17/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one has a molecular weight of 265.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83249017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).