2-Benzoylpyrrole

C11H9NOCAS 7697-46-3171.20 g/mol

Open in Covalent MOL file
ONH
Ketone

Properties

Molecular formula
C11H9NO
Molar mass
171.20 g/mol
Exact mass
171.0684 Da
Melting point
78–79 °C
Boiling point
175–180 °C (at 0.25 Torr)
logP
2.25Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
7697-46-3
SMILES
O=C(c1ccccc1)c1ccc[nH]1
InChIKey
NFGGQMYSOLVBLF-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-8,12H

Weigh it out

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Names and synonyms

8 names
  • Methanone, phenyl-1H-pyrrol-2-yl-
  • Ketone, phenyl pyrrol-2-yl
  • Phenyl-1H-pyrrol-2-ylmethanone
  • Pyrrol-2-yl phenyl ketone
  • Phenyl(1H-pyrrol-2-yl)methanone
  • NSC 75585
  • 2-Benzoyl-1H-pyrrole
  • Phenyl pyrrol-2-yl ketone

Work with 2-Benzoylpyrrole

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

Benzophenone119-61-956 % similar 1,4-Dibenzoylbenzene3016-97-554 % similar 1,2-Dibenzoylbenzene1159-86-050 % similar 1,3,5-Tribenzoylbenzene25871-69-650 % similar 2-Acetylpyrrole1072-83-948 % similar 4-Methylbenzophenone134-84-948 % similar 1H-Pyrrole-2-carboxamide4551-72-848 % similar Pyrrole-2-carboxylic acid634-97-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylquinoline-6-carboxaldehyde108166-03-6 4-Phenylpyridine 1-oxide1131-61-9 1-Naphthalenecarboxamide2243-81-4 2-Naphthalenecarboxamide2243-82-5 1-Quinolin-3-ylethanone33021-53-3 4-Phenoxypyridine4783-86-2 2-(4-Hydroxypenyl)pyridine51035-40-6

Elsewhere

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