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Chemical ID: 4308812
Chemical ID:
4308812
Name [?]:
(1-isobutylaziridin-2-yl)-pyrrolidin-1-yl-methanone
SMILES [?]:
CC(C)CN1CC1C(=O)N2CCCC2
InChi [?]:
InChI=1/C11H20N2O/c1-9(2)7-13-8-10(13)11(14)12-5-3-4-6-12/h9-10H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,13,11,14,4,6,2,7,8,10,5,9/E:(1,2)(3,4)(5,6)/rA:14cCCCCNCCCONCCCC/rB:s1;s2;s2;s4;s5;s5s6;s7;d8;s8;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.40452 |
Area: | 381.874 |
Solvation: | -2.14234 |
Coulombic: | -21.8882 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 196.289 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.85 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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