ChemDB: Chemical Search
Download
Chemical ID: 6831717
Chemical ID:
6831717
Name [?]:
4-oxo-4-pyrrolidin-1-yl-but-2-enoate
SMILES [?]:
C1CCN(C1)C(=O)C=CC(=O)[O-]
InChi [?]:
InChI=1/C8H11NO3/c10-7(3-4-8(11)12)9-5-1-2-6-9/h3-4H,1-2,5-6H2,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,8,9,5,3,6,10,4,7,11,12/E:(1,2)(5,6)(11,12)/rA:12nCCCNCCOCCCOO-/rB:s1;s2;s3;s1s4;s4;d6;s6;w8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10NO3- |
All Atoms: | 22 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.1856 |
Area: | 342.33 |
Solvation: | -43.7438 |
Coulombic: | -16.5355 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 168.17 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.46 |
LogP (Chemaxon): | 0.0 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|