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Chemical ID: 4914365
Chemical ID:
4914365
Name [?]:
methyl 4-acetamidocyclopent-2-ene-1-carboxylate
SMILES [?]:
CC(=O)NC1CC(C=C1)C(=O)OC
InChi [?]:
InChI=1/C9H13NO3/c1-6(11)10-8-4-3-7(5-8)9(12)13-2/h3-4,7-8H,5H2,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,13,8,9,6,2,7,5,10,4,3,11,12/rA:13cCCONCCCCCCOOC/rB:s1;d2;s2;s4;s5;s6;s7;s5d8;s7;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.20959 |
Area: | 364.679 |
Solvation: | -2.90739 |
Coulombic: | -38.2344 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 183.204 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.2 |
LogP (Chemaxon): | -0.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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