Chemical ID: 6732941

C1CN(CCC1C(=O)N)C(=O)C2C3CC(C2C(=O)[O-])C=C3
Chemical ID:
6732941
Name [?]:
6-[(4-carbamoyl-1-piperidyl)carbonyl]bicyclo[2.2.1]hept-2-ene-5-carboxylate
SMILES [?]:
C1CN(CCC1C(=O)N)C(=O)C2C3CC(C2C(=O)[O-])C=C3
InChi [?]:
InChI=1/C15H20N2O4/c16-13(18)8-3-5-17(6-4-8)14(19)11-9-1-2-10(7-9)12(11)15(20)21/h1-2,8-12H,3-7H2,(H2,16,18)(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:21,20,1,5,2,4,14,6,13,15,12,16,7,10,17,9,3,8,11,18,19/E:(3,4)(5,6)(20,21)/rA:21cCCNCCCCONCOCCCCCCOO-CC/rB:s1;s2;s3;s4;s1s5;s6;d7;s7;s3;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s15;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N2O4-
All Atoms:40
Heavy Atoms:21
Chiral Atoms:4
ZAP Information [?]
Total:-32.4249
Area:461.266
Solvation:-43.9566
Coulombic:-40.6145
Bond Count [?]
All:23
Single:19
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.322
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-1.1
LogP (Chemaxon):-0.65

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