Chemical ID: 6935715

CCC(C)C(=O)N1CCc2ccccc2C1
Chemical ID:
6935715
Name [?]:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-butan-1-one
SMILES [?]:
CCC(C)C(=O)N1CCc2ccccc2C1
InChi [?]:
InChI=1/C14H19NO/c1-3-11(2)14(16)15-9-8-12-6-4-5-7-13(12)10-15/h4-7,11H,3,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,12,13,11,14,9,8,16,3,10,15,5,7,6/rA:16cCCCCCONCCCCCCCCC/rB:s1;s2;s3;s3;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s7s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO
All Atoms:35
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.10798
Area:397.97
Solvation:-1.84127
Coulombic:-17.6887
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:217.307
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.52
LogP (Chemaxon):2.81

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