Chemical ID: 7086676

Cc1cc(ccc1CN)N2CCCC2=O
Chemical ID:
7086676
Name [?]:
1-[4-(aminomethyl)-3-methyl-phenyl]pyrrolidin-2-one
SMILES [?]:
Cc1cc(ccc1CN)N2CCCC2=O
InChi [?]:
InChI=1/C12H16N2O/c1-9-7-11(5-4-10(9)8-13)14-6-2-3-12(14)15/h4-5,7H,2-3,6,8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,6,5,11,3,8,2,7,4,14,9,10,15/rA:15nCCCCCCCCNNCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;s10;s11;s12;s10s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O
All Atoms:31
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.06278
Area:378.311
Solvation:-2.39499
Coulombic:-27.1943
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.268
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.96
LogP (Chemaxon):0.87

Name Annotations

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Descriptor Annotations

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