[(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide

C12H22BNSi — CID 15894052

IUPAC[(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide
SMILES[BH3-][N@+]1(C)Cc2ccccc2[C@H]1[Si](C)(C)C
InChIInChI=1S/C12H22BNSi/c1-14(13)9-10-7-5-6-8-11(10)12(14)15(2,3)4/h5-8,12H,9H2,1-4,13H3/t12-,14-/m1/s1
InChIKeyJDPSVMMNDMIPGA-TZMCWYRMSA-N
MW219.21 g/mol
LogP1.85
Rot. Bonds1

About [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide

[(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide (PubChem CID 15894052) has the molecular formula C12H22BNSi and a molecular weight of 219.21 g/mol. Its IUPAC name is [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide.

Molecular Properties

Compound Name[(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide
PubChem CID15894052
Molecular FormulaC12H22BNSi
Molecular Weight219.21 g/mol
Exact Mass219.16
IUPAC Name[(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide
SMILES[BH3-][N@+]1(C)Cc2ccccc2[C@H]1[Si](C)(C)C
InChIInChI=1S/C12H22BNSi/c1-14(13)9-10-7-5-6-8-11(10)12(14)15(2,3)4/h5-8,12H,9H2,1-4,13H3/t12-,14-/m1/s1
InChIKeyJDPSVMMNDMIPGA-TZMCWYRMSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide with MolForge

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Related Compounds

(1S)-1-ethyl-2,2-dimethyl-1,3-dihydroisoindol-2-ium
CID 139197809
trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane
CID 10387574
1,3-dihydro-2-benzofuran-1-yl(trimethyl)silane
CID 85354149
1-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dihydroisoindol-2-ium
CID 50852190
1,4-dihydronaphthalen-1-yl(trimethyl)silane
CID 13159062
trimethyl-[(1S)-2-methyl-1,3-dihydroisoindol-1-yl]silane
CID 10932934
7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)
CID 11986180
[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide
CID 10479067
2-methyl-4,8b-dihydro-3H-oxazireno[3,2-a]isoquinolin-2-ium
CID 10830482
5-methyl-5-oxido-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-5-ium
CID 10445791
trimethyl-[(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]silane iodide
CID 11725224
trimethyl-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)silane
CID 13058280

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide?
The IUPAC name of [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide (CID 15894052) is [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide.
What is the SMILES notation for [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide?
The canonical SMILES for [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide is [BH3-][N@+]1(C)Cc2ccccc2[C@H]1[Si](C)(C)C.
What is the InChIKey of [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide?
The InChIKey is JDPSVMMNDMIPGA-TZMCWYRMSA-N. The full InChI is InChI=1S/C12H22BNSi/c1-14(13)9-10-7-5-6-8-11(10)12(14)15(2,3)4/h5-8,12H,9H2,1-4,13H3/t12-,14-/m1/s1.
What are the key properties of [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide?
[(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide has a molecular weight of 219.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-methyl-1-trimethylsilyl-1,3-dihydroisoindol-2-ium-2-yl]boranuide is sourced from PubChem (CID 15894052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).