chempirical

2-Methyl-1-pyrroline

C5H9NCAS 872-32-283.13 g/mol

Open in Covalent MOL file
N
Imine

Properties

Molecular formula
C5H9N
Molar mass
83.13 g/mol
Exact mass
83.0735 Da
Boiling point
99–101 °C
logP
1.24Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
872-32-2
SMILES
CC1=NCCC1
InChIKey
CTSZPNIMMLSKDV-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 2H-Pyrrole, 3,4-dihydro-5-methyl-
  • 1-Pyrroline, 2-methyl-
  • 3,4-Dihydro-5-methyl-2H-pyrrole
  • 2-Methyl-δ1-pyrroline
  • 5-Methyl-3,4-dihydro-2H-pyrrole
  • 4,5-Dihydro-2-methyl-3H-pyrrole

Work with 2-Methyl-1-pyrroline

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

2-Acetyl-1-pyrroline85213-22-542 % similar 2-Pyrrolidone616-45-539 % similar 4-Acetamidobutyric acid3025-96-537 % similar Hexamethylene bisacetamide3073-59-436 % similar 1,4,5,6-Tetrahydro-1,2-dimethylpyrimidine4271-96-932 % similar 2-Piperidinone675-20-732 % similar Caprolactam105-60-231 % similar Octahydro-2H-azonin-2-one935-30-831 % similar

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

Same formula

Pentanenitrile110-59-8 Bicyclo(1.1.1)pentan-1-amine177287-49-9 Butyl isocyanide2769-64-4 1,1-Dimethylpropargylamine2978-58-7 Isovaleronitrile625-28-5 Pivalonitrile630-18-2 1,2,3,6-Tetrahydropyridine694-05-3 tert-Butyl isocyanide7188-38-7

Elsewhere

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