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Chemical ID: 6732941
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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