Chemical ID: 6831717

C1CCN(C1)C(=O)C=CC(=O)[O-]
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

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Experimental Annotations

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Descriptor Annotations

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