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Chemical ID: 5637132
Chemical ID:
5637132
Name [?]:
1-[7-(2-oxopyrrolidin-1-yl)heptyl]pyrrolidin-2-one
SMILES [?]:
C1CC(=O)N(C1)CCCCCCCN2CCCC2=O
InChi [?]:
InChI=1/C15H26N2O2/c18-14-8-6-12-16(14)10-4-2-1-3-5-11-17-13-7-9-15(17)19/h1-13H2
InChi Info:
AuxInfo=1/0/N:10,9,11,8,12,1,16,2,17,7,13,6,15,3,18,5,14,4,19/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:19nCCCONCCCCCCCCNCCCCO/rB:s1;s2;d3;s3;s1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s14s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H26N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47298 |
Area: | 511.322 |
Solvation: | -3.31008 |
Coulombic: | -30.8522 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 266.379 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.45 |
LogP (Chemaxon): | 0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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