2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile

C19H28N2O2Si — CID 102140635

IUPAC2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile
SMILESCC(=O)N1c2ccccc2CC1(CC#N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H28N2O2Si/c1-15(22)21-17-10-8-7-9-16(17)13-19(21,11-12-20)14-23-24(5,6)18(2,3)4/h7-10H,11,13-14H2,1-6H3
InChIKeyHEUVMHLYMVSYLO-UHFFFAOYSA-N
MW344.53 g/mol
LogP4.27
Rot. Bonds4

About 2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile

2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile (PubChem CID 102140635) has the molecular formula C19H28N2O2Si and a molecular weight of 344.53 g/mol. Its IUPAC name is 2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile
PubChem CID102140635
Molecular FormulaC19H28N2O2Si
Molecular Weight344.53 g/mol
Exact Mass344.19
IUPAC Name2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile
SMILESCC(=O)N1c2ccccc2CC1(CC#N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H28N2O2Si/c1-15(22)21-17-10-8-7-9-16(17)13-19(21,11-12-20)14-23-24(5,6)18(2,3)4/h7-10H,11,13-14H2,1-6H3
InChIKeyHEUVMHLYMVSYLO-UHFFFAOYSA-N
XLogP4.27
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-methyl-2-(2-oxoethyl)-3H-indole-1-carboxylate;carbon dioxide
CID 158181918
3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one
CID 58721822
2-(benzenesulfonyl)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindol-1-yl]ethanone
CID 10837070
(2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 175719667
(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one
CID 11666836
ethyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10521786
1-O-tert-butyl 2-O-(2-oxoethyl) 2-methyl-3H-indole-1,2-dicarboxylate
CID 175207845
tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate
CID 134972074
tert-butyl 3-(cyanomethyl)-3-phenylazetidine-1-carboxylate
CID 134341961
4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile
CID 7670955
1-[2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(dimethylamino)-1,3-dihydrocyclopenta[b]naphthalen-9-yl]ethanone
CID 72546105
1-[(2S,3R)-2-hydroxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325717

Frequently Asked Questions

What is the IUPAC name of 2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile?
The IUPAC name of 2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile (CID 102140635) is 2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile is CC(=O)N1c2ccccc2CC1(CC#N)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile?
The InChIKey is HEUVMHLYMVSYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2Si/c1-15(22)21-17-10-8-7-9-16(17)13-19(21,11-12-20)14-23-24(5,6)18(2,3)4/h7-10H,11,13-14H2,1-6H3.
What are the key properties of 2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile?
2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile has a molecular weight of 344.53 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile is sourced from PubChem (CID 102140635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).