chempirical

1-Phenylpyrrole

C10H9NCAS 635-90-5143.19 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C10H9N
Molar mass
143.19 g/mol
Exact mass
143.0735 Da
Melting point
62 °C
Boiling point
234 °C
logP
2.48Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
635-90-5
SMILES
c1ccc(-n2cccc2)cc1
InChIKey
GEZGAZKEOUKLBR-UHFFFAOYSA-N
InChI
InChI=1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H

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Names and synonyms

7 names
  • 1H-Pyrrole, 1-phenyl-
  • Pyrrole, 1-phenyl-
  • 1-Phenyl-1H-pyrrole
  • N-Phenylpyrrole
  • N-Pyrrolobenzene
  • NSC 16581
  • N-Phenyl-1H-pyrrole

Work with 1-Phenylpyrrole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(3-Bromophenyl)-1H-pyrrole107302-22-748 % similar 1-Phenylpyrazole1126-00-740 % similar 1-(2-Aminophenyl)pyrrole6025-60-140 % similar 9-Phenylcarbazole1150-62-538 % similar N-Benzylpyrrole2051-97-038 % similar 2,5-Dimethyl-1-phenylpyrrole83-24-938 % similar 3-Methyl-1-phenyl-1H-pyrazole1128-54-736 % similar 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-135 % similar

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

Same formula

3-Methylisoquinoline1125-80-0 1-Naphthylamine134-32-7 1-Methylisoquinoline1721-93-3 6-Methylisoquinoline42398-73-2 Lepidine491-35-0 8-Methylquinoline611-32-5 3-Methylquinoline612-58-8 7-Methylquinoline612-60-2

Elsewhere

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