Chemical ID: 4686468

C#CC(=O)N1CCCCC1
Chemical ID:
4686468
Name [?]:
1-(1-piperidyl)prop-2-yn-1-one
SMILES [?]:
C#CC(=O)N1CCCCC1
InChi [?]:
InChI=1/C8H11NO/c1-2-8(10)9-6-4-3-5-7-9/h1H,3-7H2
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,10,3,5,4/E:(4,5)(6,7)/rA:10nCCCONCCCCC/rB:t1;s2;d3;s3;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11NO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.18441
Area:300.606
Solvation:-1.33074
Coulombic:-20.9658
Bond Count [?]
All:10
Single:8
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:137.179
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.99
LogP (Chemaxon):0.59

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Experimental Annotations

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Descriptor Annotations

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