About 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one
5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 102258337) has the molecular formula C27H34Cl2N2O2Si
and a molecular weight of 517.57 g/mol. Its IUPAC name is 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one.
Molecular Properties
| Compound Name | 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one |
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| PubChem CID | 102258337 |
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| Molecular Formula | C27H34Cl2N2O2Si |
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| Molecular Weight | 517.57 g/mol |
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| Exact Mass | 516.18 |
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| IUPAC Name | 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one |
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| SMILES | C[Si](C)(C)CCOCN1C(=O)C2(CCN(C/C=C/c3ccc(Cl)cc3)CC2)c2cc(Cl)ccc21 |
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| InChI | InChI=1S/C27H34Cl2N2O2Si/c1-34(2,3)18-17-33-20-31-25-11-10-23(29)19-24(25)27(26(31)32)12-15-30(16-13-27)14-4-5-21-6-8-22(28)9-7-21/h4-11,19H,12-18,20H2,1-3H3/b5-4+ |
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| InChIKey | MYMGTSBGDXEBTH-SNAWJCMRSA-N |
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| XLogP | 6.70 |
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| TPSA | 32.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 517.57 |
| LogP ≤ 5 | 6.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one (CID 102258337) is 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one is C[Si](C)(C)CCOCN1C(=O)C2(CCN(C/C=C/c3ccc(Cl)cc3)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is MYMGTSBGDXEBTH-SNAWJCMRSA-N. The full InChI is InChI=1S/C27H34Cl2N2O2Si/c1-34(2,3)18-17-33-20-31-25-11-10-23(29)19-24(25)27(26(31)32)12-15-30(16-13-27)14-4-5-21-6-8-22(28)9-7-21/h4-11,19H,12-18,20H2,1-3H3/b5-4+.
What are the key properties of 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one?
5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 517.57 g/mol, XLogP of 6.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 102258337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).