(1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one

C17H26N2O2Si — CID 23624352

IUPAC(1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one
SMILESCOc1ccc2c(c1)[C@@]1(C)[C@H](N(C)C(=O)[C@H]1[Si](C)(C)C)N2C
InChIInChI=1S/C17H26N2O2Si/c1-17-12-10-11(21-4)8-9-13(12)18(2)16(17)19(3)15(20)14(17)22(5,6)7/h8-10,14,16H,1-7H3/t14-,16+,17-/m1/s1
InChIKeyTXFCUFITGGKDQQ-HYVNUMGLSA-N
MW318.49 g/mol
LogP2.91
Rot. Bonds2

About (1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one

(1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one (PubChem CID 23624352) has the molecular formula C17H26N2O2Si and a molecular weight of 318.49 g/mol. Its IUPAC name is (1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one.

Molecular Properties

Compound Name(1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one
PubChem CID23624352
Molecular FormulaC17H26N2O2Si
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name(1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one
SMILESCOc1ccc2c(c1)[C@@]1(C)[C@H](N(C)C(=O)[C@H]1[Si](C)(C)C)N2C
InChIInChI=1S/C17H26N2O2Si/c1-17-12-10-11(21-4)8-9-13(12)18(2)16(17)19(3)15(20)14(17)22(5,6)7/h8-10,14,16H,1-7H3/t14-,16+,17-/m1/s1
InChIKeyTXFCUFITGGKDQQ-HYVNUMGLSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610
(3aS,8bR)-8b-ethyl-7-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 122231230
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
(2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione
CID 132531797
bis[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] carbonate
CID 67794082
ethyl 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3-carboxylate
CID 612748
(3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 53467928
(8bS)-7-methoxy-4,8b-dimethyl-3-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 67704190
4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one
CID 132596146
2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
CID 24950980
(1R,9R,10S,12R,16S,17S,18S)-13-ethylidene-4-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-ol
CID 162999296
(3aS,4R,7R,7aR)-2-(4-methoxy-2-nitrophenyl)-4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99733058

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one?
The IUPAC name of (1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one (CID 23624352) is (1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one.
What is the SMILES notation for (1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one?
The canonical SMILES for (1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one is COc1ccc2c(c1)[C@@]1(C)[C@H](N(C)C(=O)[C@H]1[Si](C)(C)C)N2C.
What is the InChIKey of (1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one?
The InChIKey is TXFCUFITGGKDQQ-HYVNUMGLSA-N. The full InChI is InChI=1S/C17H26N2O2Si/c1-17-12-10-11(21-4)8-9-13(12)18(2)16(17)19(3)15(20)14(17)22(5,6)7/h8-10,14,16H,1-7H3/t14-,16+,17-/m1/s1.
What are the key properties of (1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one?
(1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one has a molecular weight of 318.49 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,8bS)-7-methoxy-3,4,8b-trimethyl-1-trimethylsilyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one is sourced from PubChem (CID 23624352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).