(8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one

C15H27NO2Si — CID 167494831

IUPAC(8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one
SMILESC=C1CN2C(=O)CC[C@@]2(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H27NO2Si/c1-12-9-15(8-7-13(17)16(15)10-12)11-18-19(5,6)14(2,3)4/h1,7-11H2,2-6H3/t15-/m0/s1
InChIKeyDWRFXPYYHAMGQG-HNNXBMFYSA-N
MW281.47 g/mol
LogP3.33
Rot. Bonds3

About (8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one

(8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one (PubChem CID 167494831) has the molecular formula C15H27NO2Si and a molecular weight of 281.47 g/mol. Its IUPAC name is (8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name(8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one
PubChem CID167494831
Molecular FormulaC15H27NO2Si
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name(8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one
SMILESC=C1CN2C(=O)CC[C@@]2(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H27NO2Si/c1-12-9-15(8-7-13(17)16(15)10-12)11-18-19(5,6)14(2,3)4/h1,7-11H2,2-6H3/t15-/m0/s1
InChIKeyDWRFXPYYHAMGQG-HNNXBMFYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one?
The IUPAC name of (8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one (CID 167494831) is (8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one.
What is the SMILES notation for (8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one?
The canonical SMILES for (8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one is C=C1CN2C(=O)CC[C@@]2(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one?
The InChIKey is DWRFXPYYHAMGQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H27NO2Si/c1-12-9-15(8-7-13(17)16(15)10-12)11-18-19(5,6)14(2,3)4/h1,7-11H2,2-6H3/t15-/m0/s1.
What are the key properties of (8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one?
(8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one has a molecular weight of 281.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-1,2,5,7-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 167494831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).