1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one

C26H37NO2Si — CID 173284781

IUPAC1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one
SMILESC[SiH](C)OC(CC1(Cc2ccccc2)CCN(Cc2ccccc2)C1=O)C(C)(C)C
InChIInChI=1S/C26H37NO2Si/c1-25(2,3)23(29-30(4)5)19-26(18-21-12-8-6-9-13-21)16-17-27(24(26)28)20-22-14-10-7-11-15-22/h6-15,23,30H,16-20H2,1-5H3
InChIKeyWQXDADXZGRRDLW-UHFFFAOYSA-N
MW423.67 g/mol
LogP5.45
Rot. Bonds8

About 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one

1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one (PubChem CID 173284781) has the molecular formula C26H37NO2Si and a molecular weight of 423.67 g/mol. Its IUPAC name is 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one
PubChem CID173284781
Molecular FormulaC26H37NO2Si
Molecular Weight423.67 g/mol
Exact Mass423.26
IUPAC Name1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one
SMILESC[SiH](C)OC(CC1(Cc2ccccc2)CCN(Cc2ccccc2)C1=O)C(C)(C)C
InChIInChI=1S/C26H37NO2Si/c1-25(2,3)23(29-30(4)5)19-26(18-21-12-8-6-9-13-21)16-17-27(24(26)28)20-22-14-10-7-11-15-22/h6-15,23,30H,16-20H2,1-5H3
InChIKeyWQXDADXZGRRDLW-UHFFFAOYSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.67
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one?
The IUPAC name of 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one (CID 173284781) is 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one?
The canonical SMILES for 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one is C[SiH](C)OC(CC1(Cc2ccccc2)CCN(Cc2ccccc2)C1=O)C(C)(C)C.
What is the InChIKey of 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one?
The InChIKey is WQXDADXZGRRDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2Si/c1-25(2,3)23(29-30(4)5)19-26(18-21-12-8-6-9-13-21)16-17-27(24(26)28)20-22-14-10-7-11-15-22/h6-15,23,30H,16-20H2,1-5H3.
What are the key properties of 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one?
1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one has a molecular weight of 423.67 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 173284781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).