Chemical ID: 6633619

CC1(CC(=C(C(=O)C1)C=Nc2ccccc2)O)C
Chemical ID:
6633619
Name [?]:
3-hydroxy-5,5-dimethyl-2-(phenyliminomethyl)cyclohex-2-en-1-one
SMILES [?]:
CC1(CC(=C(C(=O)C1)C=Nc2ccccc2)O)C
InChi [?]:
InChI=1/C15H17NO2/c1-15(2)8-13(17)12(14(18)9-15)10-16-11-6-4-3-5-7-11/h3-7,10,17H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,14,13,15,12,16,3,8,9,11,5,4,6,2,10,17,7/E:(1,2)(4,5)(6,7)/rA:18nCCCCCCOCCNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s2s6;s5;w9;s10;s11;d12;s13;d14;d11s15;s4;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.82161
Area:399.303
Solvation:-3.16096
Coulombic:-28.9633
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:243.301
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.53
LogP (Chemaxon):2.48

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Descriptor Annotations

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