(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one

C17H26N2O4Si — CID 11268145

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H26N2O4Si/c1-17(2,3)24(4,5)23-12-15-10-11-16(20)18(15)13-6-8-14(9-7-13)19(21)22/h6-9,15H,10-12H2,1-5H3/t15-/m0/s1
InChIKeyLXSUPEHCNPDYSA-HNNXBMFYSA-N
MW350.49 g/mol
LogP4.11
Rot. Bonds5

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one (PubChem CID 11268145) has the molecular formula C17H26N2O4Si and a molecular weight of 350.49 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one
PubChem CID11268145
Molecular FormulaC17H26N2O4Si
Molecular Weight350.49 g/mol
Exact Mass350.17
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H26N2O4Si/c1-17(2,3)24(4,5)23-12-15-10-11-16(20)18(15)13-6-8-14(9-7-13)19(21)22/h6-9,15H,10-12H2,1-5H3/t15-/m0/s1
InChIKeyLXSUPEHCNPDYSA-HNNXBMFYSA-N
XLogP4.11
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one (CID 11268145) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one?
The InChIKey is LXSUPEHCNPDYSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O4Si/c1-17(2,3)24(4,5)23-12-15-10-11-16(20)18(15)13-6-8-14(9-7-13)19(21)22/h6-9,15H,10-12H2,1-5H3/t15-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one has a molecular weight of 350.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 11268145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).