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

C17H31N3O — CID 83253643

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one
SMILESCCCC1NC(CCC)N(C2CCN3CCCCC23)C1=O
InChIInChI=1S/C17H31N3O/c1-3-7-13-17(21)20(16(18-13)8-4-2)15-10-12-19-11-6-5-9-14(15)19/h13-16,18H,3-12H2,1-2H3
InChIKeyBTLHZCBMUGWBGT-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.34
Rot. Bonds5

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

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one (PubChem CID 83253643) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one
PubChem CID83253643
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one
SMILESCCCC1NC(CCC)N(C2CCN3CCCCC23)C1=O
InChIInChI=1S/C17H31N3O/c1-3-7-13-17(21)20(16(18-13)8-4-2)15-10-12-19-11-6-5-9-14(15)19/h13-16,18H,3-12H2,1-2H3
InChIKeyBTLHZCBMUGWBGT-UHFFFAOYSA-N
XLogP2.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83249017
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83250192
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,5-dipropylimidazolidin-4-one
CID 83268918
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione
CID 64966696
2-ethyl-3-(2-methylcycloheptyl)-5-propylimidazolidin-4-one
CID 83258935
5-butyl-3-cyclooctyl-2-propylimidazolidin-4-one
CID 83238137
2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one
CID 83259873
3-cyclooctyl-2-ethyl-5-propylimidazolidin-4-one
CID 83238796
2,5-dipropyl-3-(4-propylcyclohexyl)imidazolidin-4-one
CID 83252923
3-(oxolan-3-yl)-2,5-dipropylimidazolidin-4-one
CID 83271242
3-(4-ethylcyclohexyl)-2,5-dipropylimidazolidin-4-one
CID 83255938
3-(2-ethylcyclohexyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83253814

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one (CID 83253643) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one is CCCC1NC(CCC)N(C2CCN3CCCCC23)C1=O.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one?
The InChIKey is BTLHZCBMUGWBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-7-13-17(21)20(16(18-13)8-4-2)15-10-12-19-11-6-5-9-14(15)19/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one has a molecular weight of 293.45 g/mol, XLogP of 2.34, 5 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)-2,5-dipropylimidazolidin-4-one is sourced from PubChem (CID 83253643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).