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Chemical ID: 5215108
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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