Chemical ID: 4185674

c1ccc(cc1)CN2CCNC(=O)C2=O
Chemical ID:
4185674
Name [?]:
1-benzylpiperazine-2,3-dione
SMILES [?]:
c1ccc(cc1)CN2CCNC(=O)C2=O
InChi [?]:
InChI=1/C11H12N2O2/c14-10-11(15)13(7-6-12-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,9,7,4,12,14,11,8,13,15/E:(2,3)(4,5)/rA:15nCCCCCCCNCCNCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s8s12;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.64593
Area:366.525
Solvation:-2.51719
Coulombic:-43.0054
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.225
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.53
LogP (Chemaxon):0.37

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Descriptor Annotations

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