Chemical ID: 4554045

CCOC(=O)C1CCC[N+]2(C1CCCC2)C
Chemical ID:
4554045
Name [?]:
ethyl 4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolizine-1-carboxylate
SMILES [?]:
CCOC(=O)C1CCC[N+]2(C1CCCC2)C
InChi [?]:
InChI=1/C13H24NO2/c1-3-16-13(15)11-7-6-10-14(2)9-5-4-8-12(11)14/h11-12H,3-10H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,16,2,13,14,8,7,12,15,9,6,11,4,10,5,3/CRV:14+1/rA:16cCCOCOCCCCN+CCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s11;s12;s13;s10s14;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H24NO2+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:3
ZAP Information [?]
Total:-17.1528
Area:390.239
Solvation:-26.9088
Coulombic:5.29328
Bond Count [?]
All:17
Single:16
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.335
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.35
LogP (Chemaxon):-3.06

Name Annotations

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Descriptor Annotations

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