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Chemical ID: 7405641
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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