1-Benzyl-2,5-dihydro-1H-pyrrole

C₁₁H₁₃NCAS 6913-92-4159.23 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₁₁H₁₃N
Molar mass: 159.23 g/mol
Exact mass: 159.1048 Da
logP: 2.06Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6913-92-4

SMILES

C1C=CCN1CC2=CC=CC=C2

InChIKey

LRFHKHHUKGZIGE-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-7H,8-10H2

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Names and synonyms

1 names

1-Benzyl-2,5-dihydropyrrole

Work with 1-Benzyl-2,5-dihydro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Benzyl-1,2,3,6-tetrahydropyridine40240-12-873 % similar Tribenzylamine620-40-667 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-561 % similar Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine2547-66-261 % similar 1-Benzylpiperidine2905-56-854 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-450 % similar 2,2'-((Phenylmethyl)imino)bisethanol101-32-650 % similar 1-Benzylpiperazine2759-17-350 % similar

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

Same formula

1,2,3,6-Tetrahydro-4-phenylpyridine10338-69-9 2,3,3-Trimethylindolenine1640-39-7 4-Butylbenzonitrile20651-73-4 2,4,6-Trimethylbenzeneacetonitrile34688-71-6 1-Ethyl-2-methyl-1H-indole40876-94-6 4-(1,1-Dimethylethyl)benzonitrile4210-32-6 4-Isopropylphenylacetonitrile4395-87-3

Elsewhere

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