Chemical ID: 4952712

C1CCNC(C1)CCC=O
Chemical ID:
4952712
Name [?]:
3-(2-piperidyl)propanal
SMILES [?]:
C1CCNC(C1)CCC=O
InChi [?]:
InChI=1/C8H15NO/c10-7-3-5-8-4-1-2-6-9-8/h7-9H,1-6H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,9,5,4,10/rA:10cCCCNCCCCCO/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H15NO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:5.65223
Area:313.848
Solvation:-2.19396
Coulombic:-14.9017
Bond Count [?]
All:10
Single:9
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:141.211
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.04
LogP (Chemaxon):0.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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