1-Pyrrolidinecarboxaldehyde
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
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% 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
3760-54-1SMILES
O=CN1CCCC1InChIKey
AGRIQBHIKABLPJ-UHFFFAOYSA-NInChI
InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2Weigh 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
1-Formylhomopiperazine29053-62-159 % similar
N-Formylmorpholine4394-85-855 % similar
1-Piperazinecarboxaldehyde7755-92-255 % similar
Diethylformamide617-84-545 % similar
1-Formylisonipecotic acid84163-42-839 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.