Chemical ID: 5215108

COC(=O)C1C2CCCCN2CCC1O
Chemical ID:
5215108
Name [?]:
methyl 2-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-quinolizine-1-carboxylate
SMILES [?]:
COC(=O)C1C2CCCCN2CCC1O
InChi [?]:
InChI=1/C11H19NO3/c1-15-11(14)10-8-4-2-3-6-12(8)7-5-9(10)13/h8-10,13H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,13,10,12,6,14,5,3,11,15,4,2/rA:15cCOCOCCCCCCNCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s6s10;s11;s12;s5s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H19NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:4
ZAP Information [?]
Total:6.18149
Area:359.568
Solvation:-2.80771
Coulombic:-39.7976
Bond Count [?]
All:16
Single:15
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:213.273
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.6
LogP (Chemaxon):0.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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