Chemical ID: 6658476

CCC(=C(C#N)C(=O)OCC)CC
Chemical ID:
6658476
Name [?]:
ethyl 2-cyano-3-ethyl-pent-2-enoate
SMILES [?]:
CCC(=C(C#N)C(=O)OCC)CC
InChi [?]:
InChI=1/C10H15NO2/c1-4-8(5-2)9(7-11)10(12)13-6-3/h4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,11,2,12,10,5,3,4,7,6,8,9/E:(1,2)(4,5)/rA:13nCCCCCNCOOCCCC/rB:s1;s2;d3;s4;t5;s4;d7;s7;s9;s10;s3;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.94529
Area:376.622
Solvation:-1.47027
Coulombic:-24.1232
Bond Count [?]
All:12
Single:9
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:181.232
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.69
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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