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Chemical ID: 6656205
Chemical ID:
6656205
Name [?]:
N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)N2CCCC2
InChi [?]:
InChI=1/C14H20N2O/c1-11(2)12-5-7-13(8-6-12)15-14(17)16-9-3-4-10-16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,5,9,6,8,14,17,2,4,7,11,10,13,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCCCNCONCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03216 |
Area: | 431.041 |
Solvation: | -1.74387 |
Coulombic: | -31.258 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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