Chemical ID: 4914365

CC(=O)NC1CC(C=C1)C(=O)OC
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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Descriptor Annotations

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