1,2,5-Trimethyl-1H-pyrrole

C₇H₁₁NCAS 930-87-0109.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₁N
Molar mass: 109.17 g/mol
Exact mass: 109.0891 Da
Density: 0.9166 g/mL (at 20 °C)
Boiling point: 171 °C
logP: 1.64Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

930-87-0

SMILES

Cc1ccc(C)n1C

InChIKey

YRABRACUKBOTKB-UHFFFAOYSA-N

InChI

InChI=1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3

Weigh it out

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

Names and synonyms

4 names

1H-Pyrrole, 1,2,5-trimethyl-
Pyrrole, 1,2,5-trimethyl-
1,2,5-Trimethylpyrrole
NSC 81220

Work with 1,2,5-Trimethyl-1H-pyrrole

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

1,2-Dimethylindole875-79-642 % similar 2,5-Dimethyl-1-phenylpyrrole83-24-939 % similar 1,5-Dimethylpyrazole694-31-538 % similar N-Methylcarbazole1484-12-435 % similar 1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole5044-24-635 % similar N-(4-Acetylphenyl)-2,5-dimethylpyrrole83935-45-933 % similar 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid15898-26-732 % similar 1,3,5-Trimethylpyrazole1072-91-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexanecarbonitrile766-05-2 Cyclohexyl isocyanide931-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook