Chemical ID: 6819049

Cc1cccc(c1)NC(=O)N2CC3CC2C=C3
Chemical ID:
6819049
Name [?]:
N-(m-tolyl)-5-azabicyclo[2.2.1]hept-2-ene-5-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)N2CC3CC2C=C3
InChi [?]:
InChI=1/C14H16N2O/c1-10-3-2-4-12(7-10)15-14(17)16-9-11-5-6-13(16)8-11/h2-7,11,13H,8-9H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,17,16,7,14,12,2,13,6,15,9,8,11,10/rA:17cCCCCCCCNCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s11s14;s15;s13d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O
All Atoms:33
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:8.43583
Area:410.552
Solvation:-1.82796
Coulombic:-31.4888
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:228.29
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.16
LogP (Chemaxon):2.66

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Descriptor Annotations

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