2-Methyl-1-pyrroline

C₅H₉NCAS 872-32-283.13 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation91.1% of notifiers
H319 Causes serious eye irritation91.1% of notifiers
H335 May cause respiratory irritation91.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 2-Amino-1-pyrroline hydrochloride7544-75-435 % similar 1-Aza-2-methoxy-1-cycloheptene2525-16-832 % similar 1,4,5,6-Tetrahydro-1,2-dimethylpyrimidine4271-96-932 % similar 2-Methyl-2-oxazoline1120-64-532 % 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

PubChem CAS Common Chemistry NIST WebBook