Chemical ID: 5069458

Cc1cc(ccc1OC)C2CC(CN2)C
Chemical ID:
5069458
Name [?]:
2-(4-methoxy-3-methyl-phenyl)-4-methyl-pyrrolidine
SMILES [?]:
Cc1cc(ccc1OC)C2CC(CN2)C
InChi [?]:
InChI=1/C13H19NO/c1-9-6-12(14-8-9)11-4-5-13(15-3)10(2)7-11/h4-5,7,9,12,14H,6,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:15,1,9,5,6,11,3,13,12,2,4,10,7,14,8/rA:15cCCCCCCCOCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;s10;s11;s12;s10s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:7.66511
Area:391.908
Solvation:-2.1326
Coulombic:-17.2149
Bond Count [?]
All:16
Single:13
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.296
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.58
LogP (Chemaxon):2.59

Name Annotations

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Descriptor Annotations

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