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Chemical ID: 6681997
Chemical ID:
6681997
Name [?]:
3-methyl-3-propyl-pyrrolidine-2,5-dione
SMILES [?]:
CCCC1(CC(=O)NC1=O)C
InChi [?]:
InChI=1/C8H13NO2/c1-3-4-8(2)5-6(10)9-7(8)11/h3-5H2,1-2H3,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,11,2,3,5,6,9,4,8,7,10/rA:11cCCCCCCONCOC/rB:s1;s2;s3;s4;s5;d6;s6;s4s8;d9;s4;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.5602 |
Area: | 315.05 |
Solvation: | -2.31604 |
Coulombic: | -27.9773 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 155.194 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.66 |
LogP (Chemaxon): | 0.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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