ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate

C21H29NO4Si — CID 164685692

IUPACethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate
SMILESC=C=C(C1(C(=O)OCC)C(=O)Nc2ccc(OC)cc21)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H29NO4Si/c1-9-17(27(7,8)20(3,4)5)21(19(24)26-10-2)15-13-14(25-6)11-12-16(15)22-18(21)23/h11-13H,1,10H2,2-8H3,(H,22,23)
InChIKeyXIMCALRMPNJMOV-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.21
Rot. Bonds5

About ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate

ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate (PubChem CID 164685692) has the molecular formula C21H29NO4Si and a molecular weight of 387.55 g/mol. Its IUPAC name is ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate
PubChem CID164685692
Molecular FormulaC21H29NO4Si
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC Nameethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate
SMILESC=C=C(C1(C(=O)OCC)C(=O)Nc2ccc(OC)cc21)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H29NO4Si/c1-9-17(27(7,8)20(3,4)5)21(19(24)26-10-2)15-13-14(25-6)11-12-16(15)22-18(21)23/h11-13H,1,10H2,2-8H3,(H,22,23)
InChIKeyXIMCALRMPNJMOV-UHFFFAOYSA-N
XLogP4.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate
CID 53301618
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-5-methoxy-1H-indol-2-one
CID 1425954
ethyl 3-(2,2-dimethylpropyl)-5-methoxy-1-methyl-2H-indole-3-carboxylate
CID 101274716
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611
3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one
CID 126473327
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
(E)-3-[3,3-bis(ethoxycarbonyl)-5-methoxy-1,2-dihydroindol-2-yl]prop-2-enoic acid
CID 23220047
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
tert-butyl (3R)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706344
ethyl 3-fluoro-5-methoxy-1-methyl-2-oxoindole-3-carboxylate
CID 162342797
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
CID 101052171
ethyl (3S)-2'-amino-5-methoxy-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
CID 7579488

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate?
The IUPAC name of ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate (CID 164685692) is ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate is C=C=C(C1(C(=O)OCC)C(=O)Nc2ccc(OC)cc21)[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate?
The InChIKey is XIMCALRMPNJMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4Si/c1-9-17(27(7,8)20(3,4)5)21(19(24)26-10-2)15-13-14(25-6)11-12-16(15)22-18(21)23/h11-13H,1,10H2,2-8H3,(H,22,23).
What are the key properties of ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate?
ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate has a molecular weight of 387.55 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate is sourced from PubChem (CID 164685692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).