1H-Pyrrole-2-carboxamide

C₅H₆N₂OCAS 4551-72-8110.12 g/mol

Open in Covalent MOL file

Amide

Properties

Molecular formula: C₅H₆N₂O
Molar mass: 110.12 g/mol
Exact mass: 110.0480 Da
logP: 0.11Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4551-72-8

SMILES

C1=CNC(=C1)C(=O)N

InChIKey

RLOQBKJCOAXOLR-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O/c6-5(8)4-2-1-3-7-4/h1-3,7H,(H2,6,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Pyrrole-2-carboxamide
Pyrrole carboxamide
1H-Pyrrol-2-carboxamid
1H-Pyrrole-2-carboxamide, AldrichCPR
Pyrrolecarboxamide
Pyrrole-2-carboxa
1H-Pyrrole-2-carboxylic acid amide
2-Pyrrolecarboxamide
2-Pyrrol carboxamide
1-H-Pyrrole-2-carboxylic acid amide

Work with 1H-Pyrrole-2-carboxamide

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

2-Acetylpyrrole1072-83-952 % similar Pyrrole-2-carboxylic acid634-97-952 % similar 2-Benzoylpyrrole7697-46-348 % similar Methyl 2-pyrrolecarboxylate1193-62-047 % similar 2-(Trichloroacetyl)pyrrole35302-72-847 % similar Terephthalamide3010-82-044 % similar Ethyl pyrrole-2-carboxylate2199-43-143 % similar 4-Methylbenzamide619-55-640 % similar

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

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methylpyridazin-3(2H)-one13327-27-0 1-Methyl-2-imidazolecarboxaldehyde13750-81-7 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 4-Methylpyrimidin-2-ol hydrochloride15231-48-8 2-Amino-3-hydroxypyridine16867-03-1 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-8

Elsewhere

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