chempirical

1-Pyrrolidinecarboxaldehyde

C5H9NOCAS 3760-54-199.13 g/mol

Open in Covalent MOL file
ON
Amide

Properties

Molecular formula
C5H9NO
Molar mass
99.13 g/mol
Exact mass
99.0684 Da
Density
1.0409 g/mL (at 20 °C)
Boiling point
92–94 °C
logP
0.24Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
3760-54-1
SMILES
O=CN1CCCC1
InChIKey
AGRIQBHIKABLPJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2

Weigh it out

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

Names and synonyms

3 names
  • N-Formylpyrrolidine
  • 1-Formylpyrrolidine
  • NSC 42516

Work with 1-Pyrrolidinecarboxaldehyde

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

N-Formylpiperidine2591-86-893 % similar 1,4-Piperazinedicarboxaldehyde4164-39-073 % similar N,N-Dibutylformamide761-65-965 % similar N-Formylmorpholine4394-85-855 % similar 1-Piperazinecarboxaldehyde7755-92-255 % similar Diethylformamide617-84-545 % similar 1-Formylisonipecotic acid84163-42-839 % similar N,N-Bis(trimethylsilyl)formamide15500-60-432 % similar

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

Same formula

2-Ethyl-2-oxazoline10431-98-8 Butyl isocyanate111-36-4 4-Amino-3-penten-2-one1118-66-7 Cyclopentanone oxime1192-28-5 Cyclobutanecarboxamide1503-98-6 tert-Butyl isocyanate1609-86-5 2-Oxa-6-azaspiro[3.3]heptane174-78-7 3-Ethoxypropanenitrile2141-62-0

Elsewhere

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