Chemical ID: 4747057

CCOC1=CC(=O)N(C1)CC#C
Chemical ID:
4747057
Name [?]:
4-ethoxy-1-prop-2-ynyl-5H-pyrrol-2-one
SMILES [?]:
CCOC1=CC(=O)N(C1)CC#C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.03046
Area:356.322
Solvation:-2.87759
Coulombic:-25.5108
Bond Count [?]
All:12
Single:9
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.52
LogP (Chemaxon):-0.65

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue