Chemical ID: 6347267

CC(C)(C)C(=O)N1CCCc2c1cccc2
Chemical ID:
6347267
Name [?]:
1-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-propan-1-one
SMILES [?]:
CC(C)(C)C(=O)N1CCCc2c1cccc2
InChi [?]:
InChI=1/C14H19NO/c1-14(2,3)13(16)15-10-6-8-11-7-4-5-9-12(11)15/h4-5,7,9H,6,8,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,14,9,16,10,13,8,11,12,5,2,7,6/E:(1,2,3)/rA:16nCCCCCONCCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s7s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.77135
Area:377.454
Solvation:-1.66499
Coulombic:-17.4327
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:217.307
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.37
LogP (Chemaxon):3.38

Name Annotations

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Descriptor Annotations

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