tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate

C16H24ClNO2Sn — CID 10573956

IUPACtert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2c(Cl)cccc2C[C@H]1[Sn](C)(C)C
InChIInChI=1S/C13H15ClNO2.3CH3.Sn/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15;;;;/h4-6,8H,7H2,1-3H3;3*1H3;
InChIKeySJGIIVDBQAJZAH-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.88
Rot. Bonds1

About tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate

tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate (PubChem CID 10573956) has the molecular formula C16H24ClNO2Sn and a molecular weight of 416.54 g/mol. Its IUPAC name is tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate
PubChem CID10573956
Molecular FormulaC16H24ClNO2Sn
Molecular Weight416.54 g/mol
Exact Mass417.05
IUPAC Nametert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2c(Cl)cccc2C[C@H]1[Sn](C)(C)C
InChIInChI=1S/C13H15ClNO2.3CH3.Sn/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15;;;;/h4-6,8H,7H2,1-3H3;3*1H3;
InChIKeySJGIIVDBQAJZAH-UHFFFAOYSA-N
XLogP4.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 85197002
tert-butyl (2S)-7-chloro-2-[hydroxy(diphenyl)methyl]-2,3-dihydroindole-1-carboxylate
CID 10526899
tert-butyl 3-amino-8-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83763379
tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
CID 11287775
tert-butyl 4-chloro-3-oxo-1,2-dihydroindene-2-carboxylate
CID 151079312
tert-butyl 4-[(3-chloro-2-morpholin-4-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 24614259
tert-butyl 2-[(3,4-dichlorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214621
tert-butyl 3-cyano-8-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83762930
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-6-chlorophenyl]piperazine-1-carboxylate
CID 11611651
tert-butyl (2R,3S)-7-chloro-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindole-1-carboxylate
CID 101469208
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylate
CID 78438994

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate (CID 10573956) is tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1c2c(Cl)cccc2C[C@H]1[Sn](C)(C)C.
What is the InChIKey of tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is SJGIIVDBQAJZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClNO2.3CH3.Sn/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15;;;;/h4-6,8H,7H2,1-3H3;3*1H3;.
What are the key properties of tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate?
tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 416.54 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-7-chloro-2-trimethylstannyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 10573956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).