[(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane

C21H27NOSi — CID 135034725

IUPAC[(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane
SMILESCOc1ccc2c(c1)C[C@@H]([C@@H](/C=C/[Si](C)(C)C)c1ccccc1)N2
InChIInChI=1S/C21H27NOSi/c1-23-18-10-11-20-17(14-18)15-21(22-20)19(12-13-24(2,3)4)16-8-6-5-7-9-16/h5-14,19,21-22H,15H2,1-4H3/b13-12+/t19-,21-/m0/s1
InChIKeyHVMSEJCFRXCFPH-LMULYTEMSA-N
MW337.54 g/mol
LogP5.25
Rot. Bonds5

About [(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane

[(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane (PubChem CID 135034725) has the molecular formula C21H27NOSi and a molecular weight of 337.54 g/mol. Its IUPAC name is [(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane
PubChem CID135034725
Molecular FormulaC21H27NOSi
Molecular Weight337.54 g/mol
Exact Mass337.19
IUPAC Name[(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane
SMILESCOc1ccc2c(c1)C[C@@H]([C@@H](/C=C/[Si](C)(C)C)c1ccccc1)N2
InChIInChI=1S/C21H27NOSi/c1-23-18-10-11-20-17(14-18)15-21(22-20)19(12-13-24(2,3)4)16-8-6-5-7-9-16/h5-14,19,21-22H,15H2,1-4H3/b13-12+/t19-,21-/m0/s1
InChIKeyHVMSEJCFRXCFPH-LMULYTEMSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.54
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline
CID 71490438
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde
CID 140970249
2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112710978
(2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 11358808
1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 84739877
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
(2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole
CID 135034586
5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 70908053
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501
2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
CID 4046261
7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 12827785

Frequently Asked Questions

What is the IUPAC name of [(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane?
The IUPAC name of [(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane (CID 135034725) is [(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane?
The canonical SMILES for [(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane is COc1ccc2c(c1)C[C@@H]([C@@H](/C=C/[Si](C)(C)C)c1ccccc1)N2.
What is the InChIKey of [(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane?
The InChIKey is HVMSEJCFRXCFPH-LMULYTEMSA-N. The full InChI is InChI=1S/C21H27NOSi/c1-23-18-10-11-20-17(14-18)15-21(22-20)19(12-13-24(2,3)4)16-8-6-5-7-9-16/h5-14,19,21-22H,15H2,1-4H3/b13-12+/t19-,21-/m0/s1.
What are the key properties of [(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane?
[(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane has a molecular weight of 337.54 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane is sourced from PubChem (CID 135034725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).