Chemical ID: 6046447

CCOC(=O)C1CCC(=O)N1C(=O)C
Chemical ID:
6046447
Name [?]:
ethyl 1-acetyl-5-oxo-pyrrolidine-2-carboxylate
SMILES [?]:
CCOC(=O)C1CCC(=O)N1C(=O)C
InChi [?]:
InChI=1/C9H13NO4/c1-3-14-9(13)7-4-5-8(12)10(7)6(2)11/h7H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,7,8,12,6,9,4,11,13,10,5,3/rA:14cCCOCOCCCCONCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s6s9;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.4772
Area:364.306
Solvation:-3.63044
Coulombic:-40.7177
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:199.204
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.07
LogP (Chemaxon):-0.53

Name Annotations

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Descriptor Annotations

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