(1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione

C26H34N2O4Si — CID 10939575

IUPAC(1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione
SMILESC=C[C@]12C(=O)N(C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)N(COCC[Si](C)(C)C)c4ccccc41)[C@@H]32
InChIInChI=1S/C26H34N2O4Si/c1-6-25-18-13-20-26(22(25)21(16(18)14-32-20)27(2)23(25)29)17-9-7-8-10-19(17)28(24(26)30)15-31-11-12-33(3,4)5/h6-10,16,18,20-22H,1,11-15H2,2-5H3/t16-,18+,20+,21+,22-,25-,26-/m0/s1
InChIKeyXMZAJHWOKMKLCZ-JSFFYKACSA-N
MW466.65 g/mol
LogP3.26
Rot. Bonds6

About (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione

(1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione (PubChem CID 10939575) has the molecular formula C26H34N2O4Si and a molecular weight of 466.65 g/mol. Its IUPAC name is (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione.

Molecular Properties

Compound Name(1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione
PubChem CID10939575
Molecular FormulaC26H34N2O4Si
Molecular Weight466.65 g/mol
Exact Mass466.23
IUPAC Name(1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione
SMILESC=C[C@]12C(=O)N(C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)N(COCC[Si](C)(C)C)c4ccccc41)[C@@H]32
InChIInChI=1S/C26H34N2O4Si/c1-6-25-18-13-20-26(22(25)21(16(18)14-32-20)27(2)23(25)29)17-9-7-8-10-19(17)28(24(26)30)15-31-11-12-33(3,4)5/h6-10,16,18,20-22H,1,11-15H2,2-5H3/t16-,18+,20+,21+,22-,25-,26-/m0/s1
InChIKeyXMZAJHWOKMKLCZ-JSFFYKACSA-N
XLogP3.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.65
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1'R,3R,8'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2,3'-dione
CID 135014276
(1S,2R,5R,6R,7R,8S,11R)-2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one
CID 162941590
(2'S,3R,6'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
CID 131676201
(1'R,3S,8'S,11'R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
CID 129316926
(1S,2R,5S,6R,7R,8S,11R)-2-[(1R)-1-hydroxyethyl]-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one
CID 162934268
(1R,2S,5R,6R,8R,11S)-2-ethenyl-4-methyl-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-3,7-dione
CID 10911451
(1R,2S,6R,7S,8S)-1-ethenyl-7-(hydroxymethyl)-1'-(methoxymethyl)-9-methylspiro[9-azatricyclo[4.4.0.02,8]dec-4-ene-3,3'-indole]-2',10-dione
CID 11731674
1-ethenyl-4-(2-ethoxyethoxy)-1'-(methoxymethyl)-9-methyl-2'-oxospiro[9-azatricyclo[4.4.0.02,8]decane-3,3'-indole]-7-carbonitrile
CID 138966219
(4S,5R,6S)-6'-chloro-6-(3-chlorophenyl)-4-methoxy-1'-(2-trimethylsilylethoxymethyl)spiro[azepane-5,3'-indole]-2,2'-dione
CID 68903416
[(1S,2S,3S,6R,7S,8S)-1-ethenyl-1'-(methoxymethyl)-9-methyl-2',10-dioxospiro[9-azatricyclo[4.4.0.02,8]dec-4-ene-3,3'-indole]-7-yl]methyl benzoate
CID 11202543
(Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine
CID 175729251
(1S,2R,6R,7S,8S)-N-(2-bromophenyl)-7-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-1-ethenyl-9-methyl-10-oxo-N-(2-trimethylsilylethoxymethyl)-9-azatricyclo[4.4.0.02,8]dec-3-ene-3-carboxamide
CID 10985317

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione?
The IUPAC name of (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione (CID 10939575) is (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione.
What is the SMILES notation for (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione?
The canonical SMILES for (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione is C=C[C@]12C(=O)N(C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)N(COCC[Si](C)(C)C)c4ccccc41)[C@@H]32.
What is the InChIKey of (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione?
The InChIKey is XMZAJHWOKMKLCZ-JSFFYKACSA-N. The full InChI is InChI=1S/C26H34N2O4Si/c1-6-25-18-13-20-26(22(25)21(16(18)14-32-20)27(2)23(25)29)17-9-7-8-10-19(17)28(24(26)30)15-31-11-12-33(3,4)5/h6-10,16,18,20-22H,1,11-15H2,2-5H3/t16-,18+,20+,21+,22-,25-,26-/m0/s1.
What are the key properties of (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione?
(1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione has a molecular weight of 466.65 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-4-methyl-1'-(2-trimethylsilylethoxymethyl)spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione is sourced from PubChem (CID 10939575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).