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

C16H29N3O — CID 83250192

IUPAC3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1C1CCN2CCCC12
InChIInChI=1S/C16H29N3O/c1-4-6-14-17-15(11(2)3)16(20)19(14)13-8-10-18-9-5-7-12(13)18/h11-15,17H,4-10H2,1-3H3
InChIKeyPJDRMCSOIAPRPJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.81
Rot. Bonds4

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

3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one (PubChem CID 83250192) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
PubChem CID83250192
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1C1CCN2CCCC12
InChIInChI=1S/C16H29N3O/c1-4-6-14-17-15(11(2)3)16(20)19(14)13-8-10-18-9-5-7-12(13)18/h11-15,17H,4-10H2,1-3H3
InChIKeyPJDRMCSOIAPRPJ-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.81
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)-2,5-dipropylimidazolidin-4-one
CID 83253643
3-(2,4-dimethylcyclohexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83264222
3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83263063
3-(oxan-4-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83256757
5-propan-2-yl-2-propyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazolidin-4-one
CID 83270816
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83249017
5-butan-2-yl-3-(2-ethylcyclopropyl)-2-propylimidazolidin-4-one
CID 114109870
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-propan-2-ylimidazolidin-4-one
CID 83250193
3-[(2-methylcyclohexyl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83256565
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,5-dipropylimidazolidin-4-one
CID 83268918
3-[(4-methylcyclohexyl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83254528
2-ethyl-5-propan-2-yl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83252466

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one (CID 83250192) is 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one is CCCC1NC(C(C)C)C(=O)N1C1CCN2CCCC12.
What is the InChIKey of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The InChIKey is PJDRMCSOIAPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-6-14-17-15(11(2)3)16(20)19(14)13-8-10-18-9-5-7-12(13)18/h11-15,17H,4-10H2,1-3H3.
What are the key properties of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one?
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one has a molecular weight of 279.43 g/mol, XLogP of 1.81, 4 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)-5-propan-2-yl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83250192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).