tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate

C18H29NO2Si — CID 71207301

IUPACtert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cccc([Si](C)(C)C)c1
InChIInChI=1S/C18H29NO2Si/c1-18(2,3)21-17(20)19-12-8-11-16(19)14-9-7-10-15(13-14)22(4,5)6/h7,9-10,13,16H,8,11-12H2,1-6H3
InChIKeyMJQBJXPHXNPCQP-UHFFFAOYSA-N
MW319.52 g/mol
LogP4.30
Rot. Bonds2

About tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate

tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate (PubChem CID 71207301) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate
PubChem CID71207301
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Nametert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cccc([Si](C)(C)C)c1
InChIInChI=1S/C18H29NO2Si/c1-18(2,3)21-17(20)19-12-8-11-16(19)14-9-7-10-15(13-14)22(4,5)6/h7,9-10,13,16H,8,11-12H2,1-6H3
InChIKeyMJQBJXPHXNPCQP-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 54.30
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

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 45073984
tert-butyl (2R)-2-(3-bromophenyl)pyrrolidine-1-carboxylate
CID 86332501
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
tert-butyl (2S)-2-(3-cyanophenyl)pyrrolidine-1-carboxylate
CID 91798847
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
tert-butyl 2-(3-ethoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 74889513
2-methoxy-2-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]acetic acid
CID 69333063
tert-butyl (2S)-2-(2-fluoro-4-pyridinyl)pyrrolidine-1-carboxylate
CID 138979839
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421
4-[3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-2-yl]phenyl]benzoic acid
CID 125003137
tert-butyl 2-(4-bromo-3-methylphenyl)pyrrolidine-1-carboxylate
CID 53419960

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate (CID 71207301) is tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1cccc([Si](C)(C)C)c1.
What is the InChIKey of tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate?
The InChIKey is MJQBJXPHXNPCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-18(2,3)21-17(20)19-12-8-11-16(19)14-9-7-10-15(13-14)22(4,5)6/h7,9-10,13,16H,8,11-12H2,1-6H3.
What are the key properties of tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate has a molecular weight of 319.52 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71207301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).