Chemical ID: 4586671

CC1CC(=O)C2CCCCC2[NH2+]1
Chemical ID:
4586671
Name [?]:
2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
SMILES [?]:
CC1CC(=O)C2CCCCC2[NH2+]1
InChi [?]:
InChI=1/C10H17NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-9,11H,2-6H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,3,2,6,11,4,12,5/rA:12cCCCCOCCCCCCN+/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s2s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H18NO+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:3
ZAP Information [?]
Total:-28.0135
Area:314.651
Solvation:-35.8797
Coulombic:32.032
Bond Count [?]
All:13
Single:12
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:168.256
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.05
LogP (Chemaxon):1.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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