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

C12H21N3O — CID 83260254

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one
SMILESCC1NCC(=O)N1C1CCN2CCCC2C1
InChIInChI=1S/C12H21N3O/c1-9-13-8-12(16)15(9)11-4-6-14-5-2-3-10(14)7-11/h9-11,13H,2-8H2,1H3
InChIKeyJAVMXHQEBODDTN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds1

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

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one (PubChem CID 83260254) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one
PubChem CID83260254
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one
SMILESCC1NCC(=O)N1C1CCN2CCCC2C1
InChIInChI=1S/C12H21N3O/c1-9-13-8-12(16)15(9)11-4-6-14-5-2-3-10(14)7-11/h9-11,13H,2-8H2,1H3
InChIKeyJAVMXHQEBODDTN-UHFFFAOYSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one (CID 83260254) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one is CC1NCC(=O)N1C1CCN2CCCC2C1.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one?
The InChIKey is JAVMXHQEBODDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-13-8-12(16)15(9)11-4-6-14-5-2-3-10(14)7-11/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methylimidazolidin-4-one has a molecular weight of 223.32 g/mol, XLogP of 0.39, 1 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-7-yl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 83260254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).