Chemical ID: 5052752

CCCCCN1C(=O)C2C3CC(C2C1=O)C=C3
Chemical ID:
5052752
Name [?]:
None
SMILES [?]:
CCCCCN1C(=O)C2C3CC(C2C1=O)C=C3
InChi [?]:
InChI=1/C14H19NO2/c1-2-3-4-7-15-13(16)11-9-5-6-10(8-9)12(11)14(15)17/h5-6,9-12H,2-4,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,16,17,5,11,12,10,13,9,14,7,6,15,8/E:(5,6)(9,10)(11,12)(13,14)(16,17)/rA:17cCCCCCNCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s6s13;d14;s12;s10d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:4
ZAP Information [?]
Total:8.33183
Area:418.431
Solvation:-2.12893
Coulombic:-25.7744
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.306
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.06
LogP (Chemaxon):1.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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