Chemical ID: 4729299

CC1CN(CCC1=O)C
Chemical ID:
4729299
Name [?]:
1,3-dimethylpiperidin-4-one
SMILES [?]:
CC1CN(CCC1=O)C
InChi [?]:
InChI=1/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,6,5,3,2,7,4,8/rA:9cCCCNCCCOC/rB:s1;s2;s3;s4;s5;s2s6;d7;s4;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H13NO
All Atoms:9
Heavy Atoms:9
Chiral Atoms:2
ZAP Information [?]
Total:4.78405
Area:278.118
Solvation:-2.16889
Coulombic:-11.346
Bond Count [?]
All:9
Single:8
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:127.184
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.22
LogP (Chemaxon):0.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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