Chemical ID: 5152596

C1CCC2(CC1)C(C3(CCCC=C3)NC2=O)O
Chemical ID:
5152596
Name [?]:
None
SMILES [?]:
C1CCC2(CC1)C(C3(CCCC=C3)NC2=O)O
InChi [?]:
InChI=1/C14H21NO2/c16-11-13(7-3-1-4-8-13)12(17)15-14(11)9-5-2-6-10-14/h5,9,11,16H,1-4,6-8,10H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,12,10,3,5,13,9,7,15,4,8,14,17,16/E:(3,4)(7,8)/rA:17cCCCCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s11;s8d12;s8;s4s14;d15;s7;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.08148
Area:382.563
Solvation:-2.4826
Coulombic:-39.9881
Bond Count [?]
All:19
Single:17
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.78
LogP (Chemaxon):1.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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