ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate

C19H26N4O3Si — CID 134934485

IUPACethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate
SMILESCCOC(=O)/C(=C/c1cn(C(C[Si](C)(C)C)OC)c2ccccc12)N=[N+]=[N-]
InChIInChI=1S/C19H26N4O3Si/c1-6-26-19(24)16(21-22-20)11-14-12-23(17-10-8-7-9-15(14)17)18(25-2)13-27(3,4)5/h7-12,18H,6,13H2,1-5H3/b16-11-
InChIKeyJSUAAYZDDXAALY-WJDWOHSUSA-N
MW386.53 g/mol
LogP5.34
Rot. Bonds8

About ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate

ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate (PubChem CID 134934485) has the molecular formula C19H26N4O3Si and a molecular weight of 386.53 g/mol. Its IUPAC name is ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate
PubChem CID134934485
Molecular FormulaC19H26N4O3Si
Molecular Weight386.53 g/mol
Exact Mass386.18
IUPAC Nameethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate
SMILESCCOC(=O)/C(=C/c1cn(C(C[Si](C)(C)C)OC)c2ccccc12)N=[N+]=[N-]
InChIInChI=1S/C19H26N4O3Si/c1-6-26-19(24)16(21-22-20)11-14-12-23(17-10-8-7-9-15(14)17)18(25-2)13-27(3,4)5/h7-12,18H,6,13H2,1-5H3/b16-11-
InChIKeyJSUAAYZDDXAALY-WJDWOHSUSA-N
XLogP5.34
TPSA89.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate?
The IUPAC name of ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate (CID 134934485) is ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate is CCOC(=O)/C(=C/c1cn(C(C[Si](C)(C)C)OC)c2ccccc12)N=[N+]=[N-].
What is the InChIKey of ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate?
The InChIKey is JSUAAYZDDXAALY-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H26N4O3Si/c1-6-26-19(24)16(21-22-20)11-14-12-23(17-10-8-7-9-15(14)17)18(25-2)13-27(3,4)5/h7-12,18H,6,13H2,1-5H3/b16-11-.
What are the key properties of ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate?
ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate has a molecular weight of 386.53 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-azido-3-[1-(1-methoxy-2-trimethylsilylethyl)indol-3-yl]prop-2-enoate is sourced from PubChem (CID 134934485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).