1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone

C14H21NOSi — CID 122202357

IUPAC1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CC(C[Si](C)(C)C)c2ccccc21
InChIInChI=1S/C14H21NOSi/c1-11(16)15-9-12(10-17(2,3)4)13-7-5-6-8-14(13)15/h5-8,12H,9-10H2,1-4H3
InChIKeyXGTMCGXCXLKEMX-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.47
Rot. Bonds2

About 1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone

1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 122202357) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID122202357
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CC(C[Si](C)(C)C)c2ccccc21
InChIInChI=1S/C14H21NOSi/c1-11(16)15-9-12(10-17(2,3)4)13-7-5-6-8-14(13)15/h5-8,12H,9-10H2,1-4H3
InChIKeyXGTMCGXCXLKEMX-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.47
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

2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 87624738
2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
CID 110681950
2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone
CID 110681914
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-cycloheptylacetamide
CID 110681954
(1-ethyl-3,4-dihydro-2H-quinolin-4-yl)methyl-trimethylsilane
CID 134935077
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide
CID 110681998
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide
CID 110681975
3-ethyl-2,3-dihydroindole-1-carbonyl chloride
CID 45081952
3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide
CID 124736923
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide
CID 110681951
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 110681932

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone (CID 122202357) is 1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CC(C[Si](C)(C)C)c2ccccc21.
What is the InChIKey of 1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is XGTMCGXCXLKEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-11(16)15-9-12(10-17(2,3)4)13-7-5-6-8-14(13)15/h5-8,12H,9-10H2,1-4H3.
What are the key properties of 1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone?
1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 247.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 122202357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).