3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one

C16H29N3O2 — CID 83268859

IUPAC3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)N(CC2CN3CCCC3CO2)C1=O
InChIInChI=1S/C16H29N3O2/c1-4-14-16(20)19(15(17-14)11(2)3)9-13-8-18-7-5-6-12(18)10-21-13/h11-15,17H,4-10H2,1-3H3
InChIKeyCSZJKPKWWBWBNM-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.04
Rot. Bonds4

About 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one (PubChem CID 83268859) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
PubChem CID83268859
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)N(CC2CN3CCCC3CO2)C1=O
InChIInChI=1S/C16H29N3O2/c1-4-14-16(20)19(15(17-14)11(2)3)9-13-8-18-7-5-6-12(18)10-21-13/h11-15,17H,4-10H2,1-3H3
InChIKeyCSZJKPKWWBWBNM-UHFFFAOYSA-N
XLogP1.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83255713
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 79071094
5-ethyl-3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83256390
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115948648
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(methylamino)pyrrolidin-2-one
CID 79071121
3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83248207
3-(2-cyclopropylethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 83258772
5-ethyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83242217
5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83244959
3-(cyclobutylmethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243576
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 79071917
5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 102916125

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one (CID 83268859) is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one is CCC1NC(C(C)C)N(CC2CN3CCCC3CO2)C1=O.
What is the InChIKey of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one?
The InChIKey is CSZJKPKWWBWBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-14-16(20)19(15(17-14)11(2)3)9-13-8-18-7-5-6-12(18)10-21-13/h11-15,17H,4-10H2,1-3H3.
What are the key properties of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one?
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one has a molecular weight of 295.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83268859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).