[(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane

C20H31NSi — CID 11756865

IUPAC[(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane
SMILESC[C@]12CCCC[C@H]1N(Cc1ccccc1)CC2=C[Si](C)(C)C
InChIInChI=1S/C20H31NSi/c1-20-13-9-8-12-19(20)21(14-17-10-6-5-7-11-17)15-18(20)16-22(2,3)4/h5-7,10-11,16,19H,8-9,12-15H2,1-4H3/t19-,20-/m1/s1
InChIKeyXEIXWHZSJGRXGL-WOJBJXKFSA-N
MW313.56 g/mol
LogP5.25
Rot. Bonds3

About [(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane

[(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane (PubChem CID 11756865) has the molecular formula C20H31NSi and a molecular weight of 313.56 g/mol. Its IUPAC name is [(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane.

Molecular Properties

Compound Name[(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane
PubChem CID11756865
Molecular FormulaC20H31NSi
Molecular Weight313.56 g/mol
Exact Mass313.22
IUPAC Name[(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane
SMILESC[C@]12CCCC[C@H]1N(Cc1ccccc1)CC2=C[Si](C)(C)C
InChIInChI=1S/C20H31NSi/c1-20-13-9-8-12-19(20)21(14-17-10-6-5-7-11-17)15-18(20)16-22(2,3)4/h5-7,10-11,16,19H,8-9,12-15H2,1-4H3/t19-,20-/m1/s1
InChIKeyXEIXWHZSJGRXGL-WOJBJXKFSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.56
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 20704511
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Frequently Asked Questions

What is the IUPAC name of [(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane?
The IUPAC name of [(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane (CID 11756865) is [(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane.
What is the SMILES notation for [(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane?
The canonical SMILES for [(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane is C[C@]12CCCC[C@H]1N(Cc1ccccc1)CC2=C[Si](C)(C)C.
What is the InChIKey of [(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane?
The InChIKey is XEIXWHZSJGRXGL-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H31NSi/c1-20-13-9-8-12-19(20)21(14-17-10-6-5-7-11-17)15-18(20)16-22(2,3)4/h5-7,10-11,16,19H,8-9,12-15H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of [(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane?
[(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane has a molecular weight of 313.56 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aR)-1-benzyl-3a-methyl-2,4,5,6,7,7a-hexahydroindol-3-ylidene]methyl-trimethylsilane is sourced from PubChem (CID 11756865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).