(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde

C32H48N2O3Si — CID 165026609

IUPAC(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1Cc1ccccc1.CC1(C)CC[C@H](C=O)N1Cc1ccccc1
InChIInChI=1S/C18H29NO2Si.C14H19NO/c1-18(2,3)22(4,5)21-14-16-11-12-17(20)19(16)13-15-9-7-6-8-10-15;1-14(2)9-8-13(11-16)15(14)10-12-6-4-3-5-7-12/h6-10,16H,11-14H2,1-5H3;3-7,11,13H,8-10H2,1-2H3/t16-;13-/m11/s1
InChIKeyLZGRRTJMUBGZDB-IRFRCPDASA-N
MW536.83 g/mol
LogP6.83
Rot. Bonds8

About (5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde

(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde (PubChem CID 165026609) has the molecular formula C32H48N2O3Si and a molecular weight of 536.83 g/mol. Its IUPAC name is (5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde
PubChem CID165026609
Molecular FormulaC32H48N2O3Si
Molecular Weight536.83 g/mol
Exact Mass536.34
IUPAC Name(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1Cc1ccccc1.CC1(C)CC[C@H](C=O)N1Cc1ccccc1
InChIInChI=1S/C18H29NO2Si.C14H19NO/c1-18(2,3)22(4,5)21-14-16-11-12-17(20)19(16)13-15-9-7-6-8-10-15;1-14(2)9-8-13(11-16)15(14)10-12-6-4-3-5-7-12/h6-10,16H,11-14H2,1-5H3;3-7,11,13H,8-10H2,1-2H3/t16-;13-/m11/s1
InChIKeyLZGRRTJMUBGZDB-IRFRCPDASA-N
XLogP6.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.83
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde?
The IUPAC name of (5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde (CID 165026609) is (5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for (5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde?
The canonical SMILES for (5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1Cc1ccccc1.CC1(C)CC[C@H](C=O)N1Cc1ccccc1.
What is the InChIKey of (5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde?
The InChIKey is LZGRRTJMUBGZDB-IRFRCPDASA-N. The full InChI is InChI=1S/C18H29NO2Si.C14H19NO/c1-18(2,3)22(4,5)21-14-16-11-12-17(20)19(16)13-15-9-7-6-8-10-15;1-14(2)9-8-13(11-16)15(14)10-12-6-4-3-5-7-12/h6-10,16H,11-14H2,1-5H3;3-7,11,13H,8-10H2,1-2H3/t16-;13-/m11/s1.
What are the key properties of (5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde?
(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde has a molecular weight of 536.83 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 165026609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).