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Chemical ID: 6046447
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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Experimental Annotations
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Descriptor Annotations
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