Chemical ID: 5571696

CC1(C2CCC1(C(=O)C=C2NC)C)C
Chemical ID:
5571696
Name [?]:
5,8,8-trimethyl-2-methylamino-bicyclo[3.2.1]oct-2-en-4-one
SMILES [?]:
CC1(C2CCC1(C(=O)C=C2NC)C)C
InChi [?]:
InChI=1/C12H19NO/c1-11(2)8-5-6-12(11,3)10(14)7-9(8)13-4/h7-8,13H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,13,12,4,5,9,3,10,7,2,6,11,8/E:(1,2)/rA:14cCCCCCCCOCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s7;s3d9;s10;s11;s6;s2;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:7.1251
Area:348.293
Solvation:-1.58224
Coulombic:-20.3607
Bond Count [?]
All:15
Single:13
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.285
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.76
LogP (Chemaxon):2.04

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