Chemical ID: 6369628

CCC(=O)N1CCCN(CC1)C(=O)CC
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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