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Chemical ID: 3967952
Chemical ID:
3967952
Name [?]:
trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]ammonium
SMILES [?]:
C[N+](C)(C)CC#CCN1CCCC1=O
InChi [?]:
InChI=1/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,4,7,6,11,12,8,10,5,13,9,2,14/E:(1,2,3)/CRV:13+1/rA:14nCN+CCCCCCNCCCCO/rB:s1;s2;s2;s2;s5;t6;s7;s8;s9;s10;s11;s9s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19N2O+ |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.2343 |
Area: | 395.804 |
Solvation: | -30.1294 |
Coulombic: | 9.73461 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 195.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | -1.26 |
LogP (Chemaxon): | -4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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