Chemical ID: 6919550

CC=C(C)C(=O)OC1CC2CCC(C1)N2C
Chemical ID:
6919550
Name [?]:
(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 2-methylbut-2-enoate
SMILES [?]:
CC=C(C)C(=O)OC1CC2CCC(C1)N2C
InChi [?]:
InChI=1/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,16,2,11,12,9,14,3,10,13,8,5,15,6,7/E:(5,6)(7,8)(10,11)/rA:16cCCCCCOOCCCCCCCNC/rB:s1;w2;s3;s3;d5;s5;s7;s8;s9;s10;s11;s12;s8s13;s10s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO2
All Atoms:37
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:8.65606
Area:408.585
Solvation:-1.55856
Coulombic:-25.4124
Bond Count [?]
All:17
Single:15
Double:2
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:223.311
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.18
LogP (Chemaxon):1.69

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Descriptor Annotations

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