tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate

C17H27NO2Si — CID 162401376

IUPACtert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-17(2,3)20-16(19)18-13-9-12-15(18)21(4,5)14-10-7-6-8-11-14/h6-8,10-11,15H,9,12-13H2,1-5H3/t15-/m1/s1
InChIKeyAJCAXNVOTJKZPW-OAHLLOKOSA-N
MW305.49 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate (PubChem CID 162401376) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate
PubChem CID162401376
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Nametert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-17(2,3)20-16(19)18-13-9-12-15(18)21(4,5)14-10-7-6-8-11-14/h6-8,10-11,15H,9,12-13H2,1-5H3/t15-/m1/s1
InChIKeyAJCAXNVOTJKZPW-OAHLLOKOSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11132182
tert-butyl (4R)-4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15383274
1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone
CID 10612466
tert-butyl (4S)-4-[(E,1S)-1-[dimethyl(phenyl)silyl]hexadec-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11656951
tert-butyl (3Z)-3-benzylidene-4-methylpyrrolidine-1-carboxylate
CID 24851602
Tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate
CID 44604030
Tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 75153095
tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate
CID 101251332
Tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 101448053
tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate
CID 135050531
tert-butyl (2S)-2-[hydroxy(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 139146164

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate (CID 162401376) is tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate?
The InChIKey is AJCAXNVOTJKZPW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-17(2,3)20-16(19)18-13-9-12-15(18)21(4,5)14-10-7-6-8-11-14/h6-8,10-11,15H,9,12-13H2,1-5H3/t15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate has a molecular weight of 305.49 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 162401376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).