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Chemical ID: 6369628
Chemical ID:
6369628
Name [?]:
1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
SMILES [?]:
CCC(=O)N1CCCN(CC1)C(=O)CC
InChi [?]:
InChI=1/C11H20N2O2/c1-3-10(14)12-6-5-7-13(9-8-12)11(15)4-2/h3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,14,7,6,8,11,10,3,12,5,9,4,13/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:15nCCCONCCCNCCCOCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s5s10;s9;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.53034 |
Area: | 387.119 |
Solvation: | -3.14763 |
Coulombic: | -29.7604 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 212.289 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.15 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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