tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate

C15H19BrN2O2 — CID 59051841

IUPACtert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate
SMILESCc1[nH]c2c(Br)cc(NC(=O)OC(C)(C)C)cc2c1C
InChIInChI=1S/C15H19BrN2O2/c1-8-9(2)17-13-11(8)6-10(7-12(13)16)18-14(19)20-15(3,4)5/h6-7,17H,1-5H3,(H,18,19)
InChIKeyHMUSNIYYVGHAPT-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.89
Rot. Bonds1

About tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate

tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate (PubChem CID 59051841) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate
PubChem CID59051841
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Nametert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate
SMILESCc1[nH]c2c(Br)cc(NC(=O)OC(C)(C)C)cc2c1C
InChIInChI=1S/C15H19BrN2O2/c1-8-9(2)17-13-11(8)6-10(7-12(13)16)18-14(19)20-15(3,4)5/h6-7,17H,1-5H3,(H,18,19)
InChIKeyHMUSNIYYVGHAPT-UHFFFAOYSA-N
XLogP4.89
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
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tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
CID 22033548
tert-butyl N-(3-bromo-4-methylphenyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 158687232
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate
CID 22567266
tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate
CID 156572162
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
tert-butyl N-(5-methylfuran-3-yl)carbamate
CID 130056498
tert-butyl N-(3,5-dinitrosophenyl)carbamate
CID 129228787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate (CID 59051841) is tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate is Cc1[nH]c2c(Br)cc(NC(=O)OC(C)(C)C)cc2c1C.
What is the InChIKey of tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate?
The InChIKey is HMUSNIYYVGHAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-8-9(2)17-13-11(8)6-10(7-12(13)16)18-14(19)20-15(3,4)5/h6-7,17H,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate?
tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate has a molecular weight of 339.23 g/mol, XLogP of 4.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate is sourced from PubChem (CID 59051841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).