Chemical ID: 4516638

CC(=O)C1=CCN(CC1)C
Chemical ID:
4516638
Name [?]:
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone
SMILES [?]:
CC(=O)C1=CCN(CC1)C
InChi [?]:
InChI=1/C8H13NO/c1-7(10)8-3-5-9(2)6-4-8/h3H,4-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,9,6,8,2,4,7,3/rA:10cCCOCCCNCCC/rB:s1;d2;s2;d4;s5;s6;s7;s4s8;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13NO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:5.44427
Area:301.247
Solvation:-2.08692
Coulombic:-11.9212
Bond Count [?]
All:10
Single:8
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:139.195
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.04
LogP (Chemaxon):0.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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