Chemical ID: 6048687

CCC1CC(NC1=O)C(=O)OCC
Chemical ID:
6048687
Name [?]:
ethyl 4-ethyl-5-oxo-pyrrolidine-2-carboxylate
SMILES [?]:
CCC1CC(NC1=O)C(=O)OCC
InChi [?]:
InChI=1/C9H15NO3/c1-3-6-5-7(10-8(6)11)9(12)13-4-2/h6-7H,3-5H2,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,13,2,12,4,3,5,7,9,6,8,10,11/rA:13cCCCCCNCOCOOCC/rB:s1;s2;s3;s4;s5;s3s6;d7;s5;d9;s9;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:6.3669
Area:366.846
Solvation:-2.80426
Coulombic:-39.0755
Bond Count [?]
All:13
Single:11
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:185.22
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.78
LogP (Chemaxon):0.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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