ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate

C15H22BrNO4Si — CID 178180599

IUPACethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occ(Br)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C15H22BrNO4Si/c1-5-20-15(18)12-8-13-14(11(16)9-21-13)17(12)10-19-6-7-22(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyUDNWIZHBCVZIHJ-UHFFFAOYSA-N
MW388.33 g/mol
LogP4.49
Rot. Bonds7

About ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate

ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 178180599) has the molecular formula C15H22BrNO4Si and a molecular weight of 388.33 g/mol. Its IUPAC name is ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate
PubChem CID178180599
Molecular FormulaC15H22BrNO4Si
Molecular Weight388.33 g/mol
Exact Mass387.05
IUPAC Nameethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occ(Br)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C15H22BrNO4Si/c1-5-20-15(18)12-8-13-14(11(16)9-21-13)17(12)10-19-6-7-22(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyUDNWIZHBCVZIHJ-UHFFFAOYSA-N
XLogP4.49
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-bromo-7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carboxylate
CID 169003747
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 166476125
ethyl 5-bromo-4-(2,2-difluoroethoxy)-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylate
CID 90181101
ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate
CID 140834477
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397
ethyl 2-chloro-6,7-difluoro-3-(2-trimethylsilylethoxymethyl)benzimidazole-4-carboxylate
CID 145190736
ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 58134149
ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
CID 22387741
ethyl 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 50924880
ethyl 4-[2-[(2S)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 44814586

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate (CID 178180599) is ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occ(Br)c2n1COCC[Si](C)(C)C.
What is the InChIKey of ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is UDNWIZHBCVZIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4Si/c1-5-20-15(18)12-8-13-14(11(16)9-21-13)17(12)10-19-6-7-22(2,3)4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate?
ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 388.33 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 178180599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).