Chemical ID: 3991200

C=CCNC(=O)CC#N
Chemical ID:
3991200
Name [?]:
N-allyl-3-nitrido-propanamide
SMILES [?]:
C=CCNC(=O)CC#N
InChi [?]:
InChI=1/C6H8N2O/c1-2-5-8-6(9)3-4-7/h2H,1,3,5H2,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,3,5,9,4,6/rA:9nCCCNCOCCN/rB:d1;s2;s3;s4;d5;s5;s7;t8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.78377
Area:305.412
Solvation:-2.85153
Coulombic:-22.6651
Bond Count [?]
All:8
Single:5
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:124.141
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.22
LogP (Chemaxon):0.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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