5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C19H37NO3Si — CID 135070687

IUPAC5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCCOC1CC(CO[Si](C(C)C)(C(C)C)C(C)C)C2CCC(=O)N12
InChIInChI=1S/C19H37NO3Si/c1-8-22-19-11-16(17-9-10-18(21)20(17)19)12-23-24(13(2)3,14(4)5)15(6)7/h13-17,19H,8-12H2,1-7H3
InChIKeyNYJRSMPYZTZXNH-UHFFFAOYSA-N
MW355.60 g/mol
LogP4.55
Rot. Bonds8

About 5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 135070687) has the molecular formula C19H37NO3Si and a molecular weight of 355.60 g/mol. Its IUPAC name is 5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID135070687
Molecular FormulaC19H37NO3Si
Molecular Weight355.60 g/mol
Exact Mass355.25
IUPAC Name5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCCOC1CC(CO[Si](C(C)C)(C(C)C)C(C)C)C2CCC(=O)N12
InChIInChI=1S/C19H37NO3Si/c1-8-22-19-11-16(17-9-10-18(21)20(17)19)12-23-24(13(2)3,14(4)5)15(6)7/h13-17,19H,8-12H2,1-7H3
InChIKeyNYJRSMPYZTZXNH-UHFFFAOYSA-N
XLogP4.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,7S,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10805011
7-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 73098779
(3-Ethoxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate
CID 85682760
5-Ethoxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 85682767
(2S,7R,8S)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101192231
(7S,8R)-8-hydroxy-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10663988
(5S,7S,8S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10946939
(5S,7R,8S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11023420
(5R,7S,8S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11056102
(5R,7R,8S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11781973
(2S,7S,8R)-7-methyl-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101192240
(5R,7R,8R)-5-ethoxy-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 130831173

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 135070687) is 5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CCOC1CC(CO[Si](C(C)C)(C(C)C)C(C)C)C2CCC(=O)N12.
What is the InChIKey of 5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is NYJRSMPYZTZXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3Si/c1-8-22-19-11-16(17-9-10-18(21)20(17)19)12-23-24(13(2)3,14(4)5)15(6)7/h13-17,19H,8-12H2,1-7H3.
What are the key properties of 5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 355.60 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-7-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 135070687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).