tert-butyl N-(1,2-dimethylindol-7-yl)carbamate

C15H20N2O2 — CID 174933976

IUPACtert-butyl N-(1,2-dimethylindol-7-yl)carbamate
SMILESCc1cc2cccc(NC(=O)OC(C)(C)C)c2n1C
InChIInChI=1S/C15H20N2O2/c1-10-9-11-7-6-8-12(13(11)17(10)5)16-14(18)19-15(2,3)4/h6-9H,1-5H3,(H,16,18)
InChIKeyXLBFNXGHXANSDG-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.83
Rot. Bonds1

About tert-butyl N-(1,2-dimethylindol-7-yl)carbamate

tert-butyl N-(1,2-dimethylindol-7-yl)carbamate (PubChem CID 174933976) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is tert-butyl N-(1,2-dimethylindol-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2-dimethylindol-7-yl)carbamate
PubChem CID174933976
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nametert-butyl N-(1,2-dimethylindol-7-yl)carbamate
SMILESCc1cc2cccc(NC(=O)OC(C)(C)C)c2n1C
InChIInChI=1S/C15H20N2O2/c1-10-9-11-7-6-8-12(13(11)17(10)5)16-14(18)19-15(2,3)4/h6-9H,1-5H3,(H,16,18)
InChIKeyXLBFNXGHXANSDG-UHFFFAOYSA-N
XLogP3.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
(1,2-dimethylindol-7-yl) N-ethylcarbamate
CID 143750172
tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
CID 134485440
1-[2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 175221672
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,2-dimethylindol-7-yl)carbamate?
The IUPAC name of tert-butyl N-(1,2-dimethylindol-7-yl)carbamate (CID 174933976) is tert-butyl N-(1,2-dimethylindol-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,2-dimethylindol-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,2-dimethylindol-7-yl)carbamate is Cc1cc2cccc(NC(=O)OC(C)(C)C)c2n1C.
What is the InChIKey of tert-butyl N-(1,2-dimethylindol-7-yl)carbamate?
The InChIKey is XLBFNXGHXANSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-9-11-7-6-8-12(13(11)17(10)5)16-14(18)19-15(2,3)4/h6-9H,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-(1,2-dimethylindol-7-yl)carbamate?
tert-butyl N-(1,2-dimethylindol-7-yl)carbamate has a molecular weight of 260.34 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,2-dimethylindol-7-yl)carbamate is sourced from PubChem (CID 174933976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).