Chemical ID: 6386553

C1CCN(CC1)C(=O)C2CC=CCC2C(=O)O
Chemical ID:
6386553
Name [?]:
6-(1-piperidylcarbonyl)cyclohex-3-ene-1-carboxylic acid
SMILES [?]:
C1CCN(CC1)C(=O)C2CC=CCC2C(=O)O
InChi [?]:
InChI=1/C13H19NO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,10-11H,1,4-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,12,2,6,10,13,3,5,9,14,7,15,4,8,16,17/E:(4,5)(8,9)(16,17)/rA:17cCCCNCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;s10;d11;s12;s9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.0689
Area:390.162
Solvation:-2.68515
Coulombic:-42.0174
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.95
LogP (Chemaxon):1.13

Name Annotations

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Descriptor Annotations

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