tert-butyl N-(1,3-dimethylindol-5-yl)carbamate

C15H20N2O2 — CID 90162227

IUPACtert-butyl N-(1,3-dimethylindol-5-yl)carbamate
SMILESCc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C15H20N2O2/c1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4/h6-9H,1-5H3,(H,16,18)
InChIKeyCYGVRNRVIIGUEA-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.83
Rot. Bonds1

About tert-butyl N-(1,3-dimethylindol-5-yl)carbamate

tert-butyl N-(1,3-dimethylindol-5-yl)carbamate (PubChem CID 90162227) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is tert-butyl N-(1,3-dimethylindol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-dimethylindol-5-yl)carbamate
PubChem CID90162227
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nametert-butyl N-(1,3-dimethylindol-5-yl)carbamate
SMILESCc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C15H20N2O2/c1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4/h6-9H,1-5H3,(H,16,18)
InChIKeyCYGVRNRVIIGUEA-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-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate
CID 171512305
CID 164562081
CID 164562081
tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate
CID 91971207
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
tert-butyl N-(4-formyl-3-methylphenyl)carbamate
CID 84797413
tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
CID 58614987
tert-butyl N-(3-isocyanato-4-methylphenyl)carbamate
CID 71331875
tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate
CID 22567266
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
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tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate (CID 90162227) is tert-butyl N-(1,3-dimethylindol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate is Cc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12.
What is the InChIKey of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate?
The InChIKey is CYGVRNRVIIGUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4/h6-9H,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate?
tert-butyl N-(1,3-dimethylindol-5-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-(1,3-dimethylindol-5-yl)carbamate is sourced from PubChem (CID 90162227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).