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Chemical ID: 4955521
Chemical ID:
4955521
Name [?]:
1-(norbornan-2-ylmethyl)pyrrolidine-2,5-dione
SMILES [?]:
C1CC2CC1CC2CN3C(=O)CCC3=O
InChi [?]:
InChI=1/C12H17NO2/c14-11-3-4-12(15)13(11)7-10-6-8-1-2-9(10)5-8/h8-10H,1-7H2
InChi Info:
AuxInfo=1/0/N:1,2,12,13,4,6,8,5,3,7,10,14,9,11,15/E:(3,4)(11,12)(14,15)/rA:15cCCCCCCCCNCOCCCO/rB:s1;s2;s3;s1s4;s5;s3s6;s7;s8;s9;d10;s10;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.51634 |
Area: | 360.301 |
Solvation: | -2.49119 |
Coulombic: | -23.2369 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.72 |
LogP (Chemaxon): | 0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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