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

C13H23N3O — CID 83250193

IUPAC3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1C1CCN2CCCC12
InChIInChI=1S/C13H23N3O/c1-9(2)13-14-8-12(17)16(13)11-5-7-15-6-3-4-10(11)15/h9-11,13-14H,3-8H2,1-2H3
InChIKeyUMZJKJKWEVVMOZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.64
Rot. Bonds2

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

3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83250193) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83250193
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1C1CCN2CCCC12
InChIInChI=1S/C13H23N3O/c1-9(2)13-14-8-12(17)16(13)11-5-7-15-6-3-4-10(11)15/h9-11,13-14H,3-8H2,1-2H3
InChIKeyUMZJKJKWEVVMOZ-UHFFFAOYSA-N
XLogP0.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one (CID 83250193) is 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one is CC(C)C1NCC(=O)N1C1CCN2CCCC12.
What is the InChIKey of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is UMZJKJKWEVVMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)13-14-8-12(17)16(13)11-5-7-15-6-3-4-10(11)15/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one?
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 237.35 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83250193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).