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Chemical ID: 5057897
Chemical ID:
5057897
Name [?]:
N,N-diallyl-3-aziridin-1-yl-propanamide
SMILES [?]:
C=CCN(CC=C)C(=O)CCN1CC1
InChi [?]:
InChI=1/C11H18N2O/c1-3-6-13(7-4-2)11(14)5-8-12-9-10-12/h3-4H,1-2,5-10H2
InChi Info:
AuxInfo=1/0/N:1,7,2,6,10,3,5,11,13,14,8,12,4,9/E:(1,2)(3,4)(6,7)(9,10)/rA:14nCCCNCCCCOCCNCC/rB:d1;s2;s3;s4;s5;d6;s4;d8;s8;s10;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02511 |
Area: | 406.75 |
Solvation: | -2.14364 |
Coulombic: | -23.3158 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 194.273 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.55 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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