ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate

C20H32N4O4Si — CID 91741804

IUPACethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate
SMILESCCOC(=O)C12CN(N(C)C)C(=O)C1(N[Si](C)(C)C)N(C)c1ccc(OC)cc12
InChIInChI=1S/C20H32N4O4Si/c1-9-28-18(26)19-13-24(22(2)3)17(25)20(19,21-29(6,7)8)23(4)16-11-10-14(27-5)12-15(16)19/h10-12,21H,9,13H2,1-8H3
InChIKeyYRJPPFDRSQGBSQ-UHFFFAOYSA-N
MW420.59 g/mol
LogP1.39
Rot. Bonds6

About ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate

ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate (PubChem CID 91741804) has the molecular formula C20H32N4O4Si and a molecular weight of 420.59 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate
PubChem CID91741804
Molecular FormulaC20H32N4O4Si
Molecular Weight420.59 g/mol
Exact Mass420.22
IUPAC Nameethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate
SMILESCCOC(=O)C12CN(N(C)C)C(=O)C1(N[Si](C)(C)C)N(C)c1ccc(OC)cc12
InChIInChI=1S/C20H32N4O4Si/c1-9-28-18(26)19-13-24(22(2)3)17(25)20(19,21-29(6,7)8)23(4)16-11-10-14(27-5)12-15(16)19/h10-12,21H,9,13H2,1-8H3
InChIKeyYRJPPFDRSQGBSQ-UHFFFAOYSA-N
XLogP1.39
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl (3aS,8bS)-3a-amino-2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indole-8b-carboxylate
CID 39353516
ethyl 3-fluoro-5-methoxy-1-methyl-2-oxoindole-3-carboxylate
CID 162342797
ethyl 3-(2,2-dimethylpropyl)-5-methoxy-1-methyl-2H-indole-3-carboxylate
CID 101274716
ethyl (3aR,8bS)-3a-hydroxy-6-methoxy-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-carboxylate
CID 102289583
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
ethyl 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3-carboxylate
CID 612748
2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84726602
cis-ethyl (1R,2S)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxylate;hydrochloride
CID 13218479
ethyl 2-(3-methoxyphenyl)oxirane-2-carboxylate
CID 174756675
ethyl (1R,9S,12R)-4-methoxy-9,10-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-12-carboxylate
CID 7098966
methyl 5'-methoxy-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 11486531
N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-5-methoxy-1,4'-dimethyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23956148

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate?
The IUPAC name of ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate (CID 91741804) is ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate?
The canonical SMILES for ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate is CCOC(=O)C12CN(N(C)C)C(=O)C1(N[Si](C)(C)C)N(C)c1ccc(OC)cc12.
What is the InChIKey of ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate?
The InChIKey is YRJPPFDRSQGBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4Si/c1-9-28-18(26)19-13-24(22(2)3)17(25)20(19,21-29(6,7)8)23(4)16-11-10-14(27-5)12-15(16)19/h10-12,21H,9,13H2,1-8H3.
What are the key properties of ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate?
ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate has a molecular weight of 420.59 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-7-methoxy-4-methyl-3-oxo-3a-(trimethylsilylamino)-1H-pyrrolo[3,4-b]indole-8b-carboxylate is sourced from PubChem (CID 91741804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).