Chemical ID: 4308812

CC(C)CN1CC1C(=O)N2CCCC2
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue