Chemical ID: 5170320

CC(=C)CC#N
Chemical ID:
5170320
Name [?]:
3-methylbut-3-enenitrile
SMILES [?]:
CC(=C)CC#N
InChi [?]:
InChI=1/C5H7N/c1-5(2)3-4-6/h1,3H2,2H3
InChi Info:
AuxInfo=1/0/N:3,1,4,5,2,6/rA:6nCCCCCN/rB:s1;d2;s2;s4;t5;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C5H7N
All Atoms:6
Heavy Atoms:6
Chiral Atoms:0
ZAP Information [?]
Total:5.03673
Area:243.909
Solvation:-1.06099
Coulombic:-3.74993
Bond Count [?]
All:5
Single:3
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:81.1158
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.74
LogP (Chemaxon):1.13

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