3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one

C19H27NO2Si — CID 177465871

IUPAC3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one
SMILESCO/C=C\CC1(/C=C/C[Si](C)(C)C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H27NO2Si/c1-20-17-11-7-6-10-16(17)19(18(20)21,12-8-14-22-2)13-9-15-23(3,4)5/h6-11,13-14H,12,15H2,1-5H3/b13-9+,14-8-
InChIKeyQFSYWJQPRNYBQF-IXGQGZMGSA-N
MW329.52 g/mol
LogP4.35
Rot. Bonds6

About 3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one

3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one (PubChem CID 177465871) has the molecular formula C19H27NO2Si and a molecular weight of 329.52 g/mol. Its IUPAC name is 3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one.

Molecular Properties

Compound Name3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one
PubChem CID177465871
Molecular FormulaC19H27NO2Si
Molecular Weight329.52 g/mol
Exact Mass329.18
IUPAC Name3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one
SMILESCO/C=C\CC1(/C=C/C[Si](C)(C)C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H27NO2Si/c1-20-17-11-7-6-10-16(17)19(18(20)21,12-8-14-22-2)13-9-15-23(3,4)5/h6-11,13-14H,12,15H2,1-5H3/b13-9+,14-8-
InChIKeyQFSYWJQPRNYBQF-IXGQGZMGSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one?
The IUPAC name of 3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one (CID 177465871) is 3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one.
What is the SMILES notation for 3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one?
The canonical SMILES for 3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one is CO/C=C\CC1(/C=C/C[Si](C)(C)C)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one?
The InChIKey is QFSYWJQPRNYBQF-IXGQGZMGSA-N. The full InChI is InChI=1S/C19H27NO2Si/c1-20-17-11-7-6-10-16(17)19(18(20)21,12-8-14-22-2)13-9-15-23(3,4)5/h6-11,13-14H,12,15H2,1-5H3/b13-9+,14-8-.
What are the key properties of 3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one?
3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one has a molecular weight of 329.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-methoxyprop-2-enyl]-1-methyl-3-[(E)-3-trimethylsilylprop-1-enyl]indol-2-one is sourced from PubChem (CID 177465871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).