tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate

C17H33NO3Si — CID 154115849

IUPACtert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate
SMILESC=C1C[C@H](C(C)(C)O[SiH2]C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H33NO3Si/c1-12-10-13(17(8,9)21-22-16(5,6)7)18(11-12)14(19)20-15(2,3)4/h13H,1,10-11,22H2,2-9H3/t13-/m1/s1
InChIKeyPGBCDRBIEBLCHJ-CYBMUJFWSA-N
MW327.54 g/mol
LogP3.65
Rot. Bonds3

About tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate

tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate (PubChem CID 154115849) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate
PubChem CID154115849
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Nametert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate
SMILESC=C1C[C@H](C(C)(C)O[SiH2]C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H33NO3Si/c1-12-10-13(17(8,9)21-22-16(5,6)7)18(11-12)14(19)20-15(2,3)4/h13H,1,10-11,22H2,2-9H3/t13-/m1/s1
InChIKeyPGBCDRBIEBLCHJ-CYBMUJFWSA-N
XLogP3.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-acetyl-4-methylidenepyrrolidine-1-carboxylate;ethane
CID 144773533
ditert-butyl 4-methylidenepyrrolidine-1,2-dicarboxylate
CID 18967904
(2S)-4-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
CID 42553065
tert-butyl 2-carbamoyl-4-methylidenepyrrolidine-1-carboxylate
CID 66629943
tert-butyl (2S)-2-(dihydroxymethyl)-4-methylidenepyrrolidine-1-carboxylate
CID 146518510
tert-butyl (2R)-2-(3,5-dimethylphenyl)-4-methylidenepyrrolidine-1-carboxylate
CID 134940406
tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate
CID 152995833
tert-butyl (2S)-2-(diazenylcarbamoyl)-4-methylidenepyrrolidine-1-carboxylate
CID 136621600
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
1-O-tert-butyl 2-O-ethyl 5-methylidenepiperidine-1,2-dicarboxylate
CID 172763853
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
1-O-tert-butyl 2-O-methyl 3-methylideneazetidine-1,2-dicarboxylate
CID 155973176

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate (CID 154115849) is tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate is C=C1C[C@H](C(C)(C)O[SiH2]C(C)(C)C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate?
The InChIKey is PGBCDRBIEBLCHJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-12-10-13(17(8,9)21-22-16(5,6)7)18(11-12)14(19)20-15(2,3)4/h13H,1,10-11,22H2,2-9H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate has a molecular weight of 327.54 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2-tert-butylsilyloxypropan-2-yl)-4-methylidenepyrrolidine-1-carboxylate is sourced from PubChem (CID 154115849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).