2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone

C25H31NOSi — CID 11246261

IUPAC2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone
SMILESCc1[nH]c(C)c(C(=O)C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1C
InChIInChI=1S/C25H31NOSi/c1-18-19(2)26-20(3)24(18)23(27)17-28(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,26H,17H2,1-6H3
InChIKeyAJOHBDFDOQHWQM-UHFFFAOYSA-N
MW389.62 g/mol
LogP5.19
Rot. Bonds5

About 2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone

2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone (PubChem CID 11246261) has the molecular formula C25H31NOSi and a molecular weight of 389.62 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone
PubChem CID11246261
Molecular FormulaC25H31NOSi
Molecular Weight389.62 g/mol
Exact Mass389.22
IUPAC Name2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone
SMILESCc1[nH]c(C)c(C(=O)C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1C
InChIInChI=1S/C25H31NOSi/c1-18-19(2)26-20(3)24(18)23(27)17-28(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,26H,17H2,1-6H3
InChIKeyAJOHBDFDOQHWQM-UHFFFAOYSA-N
XLogP5.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[tert-butyl(diphenyl)silyl]methyl]but-3-en-1-ol
CID 15122911
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
[4,5-dimethyl-2-(trifluoromethyl)-1H-pyrrol-3-yl]-phenylmethanone
CID 51066147
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772273
1-[2-[[tert-butyl(diphenyl)silyl]methyl]prop-2-enyl]cyclopentan-1-ol
CID 101034326
1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
CID 86211351
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[[tert-butyl(diphenyl)silyl]methyl]hexanal
CID 14227109
ethyl 3,5-dimethyl-4-(3-phenylpropanoyl)-1H-pyrrole-2-carboxylate
CID 590700
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
ethyl 4-(2-benzoyloxyacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7514865

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone (CID 11246261) is 2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone is Cc1[nH]c(C)c(C(=O)C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1C.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is AJOHBDFDOQHWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NOSi/c1-18-19(2)26-20(3)24(18)23(27)17-28(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,26H,17H2,1-6H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone?
2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 389.62 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]-1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 11246261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).