Chemical ID: 6300168

c1ccc2c(c1)CN(C2=O)C34CC5CC(C3)CC(C5)C4
Chemical ID:
6300168
Name [?]:
2-(1-adamantyl)isoindolin-1-one
SMILES [?]:
c1ccc2c(c1)CN(C2=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C18H21NO/c20-17-16-4-2-1-3-15(16)11-19(17)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,17,19,16,12,20,7,15,13,18,5,4,9,11,8,10/E:(5,6,7)(8,9,10)(12,13,14)/rA:20nCCCCCCCNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s8;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.07172
Area:418.338
Solvation:-1.38673
Coulombic:-19.6221
Bond Count [?]
All:24
Single:20
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:267.365
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.14
LogP (Chemaxon):2.64

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Descriptor Annotations

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