chempirical

N-T-Boc-pyrrole

C9H13NO2CAS 5176-27-2167.21 g/mol

Open in Covalent MOL file
OON

Properties

Molecular formula
C9H13NO2
Molar mass
167.21 g/mol
Exact mass
167.0946 Da
logP
2.27Crippen estimate
Polar surface area
31.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5176-27-2
SMILES
CC(C)(C)OC(=O)N1C=CC=C1
InChIKey
IZPYBIJFRFWRPR-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H3

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Names and synonyms

1 names
  • tert-Butyl 1H-pyrrole-1-carboxylate

Work with N-T-Boc-pyrrole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(tert-Butoxycarbonyl)imidazole49761-82-259 % similar Methyl 1-pyrrolecarboxylate4277-63-854 % similar N-Boc-2-pyrroleboronic acid135884-31-046 % similar 1,1-Dimethylethyl 1H-1,2,4-triazole-1-carboxylate41864-24-846 % similar 1-Boc-4-bromopyrazole1150271-23-041 % similar 1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate166104-20-740 % similar 1-Boc-6-aminoindole219508-62-040 % similar N-Boc-5-hydroxyindole434958-85-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Azaspirodecanedione1075-89-4 1-Cyanocyclohexaneacetic acid133481-09-1 2-(2-Methoxyphenoxy)ethanamine1836-62-0 2,4-Dimethoxybenzylamine20781-20-8 2,6-Dimethoxybenzylamine20781-22-0 Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-2 Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-1 (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-1

Elsewhere

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