(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one

C17H33NO2Si — CID 10425603

IUPAC(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one
SMILESC=C[C@@H](CC(=O)N1CCCC1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO2Si/c1-8-15(13-16(19)18-11-9-10-12-18)14(2)20-21(6,7)17(3,4)5/h8,14-15H,1,9-13H2,2-7H3/t14-,15-/m0/s1
InChIKeyIXVVPCRURFRDFV-GJZGRUSLSA-N
MW311.54 g/mol
LogP4.21
Rot. Bonds6

About (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one

(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one (PubChem CID 10425603) has the molecular formula C17H33NO2Si and a molecular weight of 311.54 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one
PubChem CID10425603
Molecular FormulaC17H33NO2Si
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC Name(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one
SMILESC=C[C@@H](CC(=O)N1CCCC1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO2Si/c1-8-15(13-16(19)18-11-9-10-12-18)14(2)20-21(6,7)17(3,4)5/h8,14-15H,1,9-13H2,2-7H3/t14-,15-/m0/s1
InChIKeyIXVVPCRURFRDFV-GJZGRUSLSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.21
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 (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one?
The IUPAC name of (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one (CID 10425603) is (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one.
What is the SMILES notation for (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one?
The canonical SMILES for (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one is C=C[C@@H](CC(=O)N1CCCC1)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one?
The InChIKey is IXVVPCRURFRDFV-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H33NO2Si/c1-8-15(13-16(19)18-11-9-10-12-18)14(2)20-21(6,7)17(3,4)5/h8,14-15H,1,9-13H2,2-7H3/t14-,15-/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one?
(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one has a molecular weight of 311.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 10425603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).