Chemical ID: 3967952

C[N+](C)(C)CC#CCN1CCCC1=O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue