Chemical ID: 7405641

Cc1ccc(cc1)NC(=O)N2CCCC2
Chemical ID:
7405641
Name [?]:
N-(p-tolyl)pyrrolidine-1-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)N2CCCC2
InChi [?]:
InChI=1/C12H16N2O/c1-10-4-6-11(7-5-10)13-12(15)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,13,14,3,7,4,6,12,15,2,5,9,8,11,10/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCCCCNCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O
All Atoms:31
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.92536
Area:387.251
Solvation:-1.75592
Coulombic:-30.6117
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.268
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.0
LogP (Chemaxon):2.39

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Descriptor Annotations

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