COC1=CC=CC=C1C=[N+]2CCCC2.[Cl-]
Name: 1-[(2-methoxyphenyl)methylidene]pyrrolidin-1-ium chloride
SMILES: COC1=CC=CC=C1C=[N+]2CCCC2.[Cl-]

Molecular Processing

Molecular formula
C12H16ClNO
Molecular weight
225.72
Exact mass
225.092
XLogP
-1.08
TPSA
12.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
57.39

Supplementary Information

InChIKey: DKUXWLGVUTYJRB-UHFFFAOYSA-M
Synonyme
SCHEMBL5260824DKUXWLGVUTYJRB-UHFFFAOYSA-M1-(2-methoxy-benzylidene)pyrrolidinium chloride1-(2-methoxy-benzylidene)-pyrrolidinium chloride
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