Chemical ID: 6046584

COC(=O)C1=CCCNC1
Chemical ID:
6046584
Name [?]:
methyl 1,2,5,6-tetrahydropyridine-3-carboxylate
SMILES [?]:
COC(=O)C1=CCCNC1
InChi [?]:
InChI=1/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,10,5,3,9,4,2/rA:10nCOCOCCCCNC/rB:s1;s2;d3;s3;d5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.81832
Area:299.409
Solvation:-1.66692
Coulombic:-28.4195
Bond Count [?]
All:10
Single:8
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:141.168
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.1
LogP (Chemaxon):-0.18

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Experimental Annotations

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Descriptor Annotations

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