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Chemical ID: 4185674
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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