Chemical ID: 4947339

CCN(CC)CCC(=O)C=Cc1ccccc1
Chemical ID:
4947339
Name [?]:
5-diethylamino-1-phenyl-pent-1-en-3-one
SMILES [?]:
CCN(CC)CCC(=O)C=Cc1ccccc1
InChi [?]:
InChI=1/C15H21NO/c1-3-16(4-2)13-12-15(17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,14,16,13,17,11,10,7,6,12,8,3,9/E:(1,2)(3,4)(6,7)(8,9)/rA:17nCCNCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.85555
Area:447.399
Solvation:-2.32943
Coulombic:-14.0471
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:231.333
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.66
LogP (Chemaxon):3.43

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Descriptor Annotations

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