Chemical ID: 3991205

c1ccc(cc1)C=C2CCC=C2N3CCOCC3
Chemical ID:
3991205
Name [?]:
4-(5-benzylidene-1-cyclopentenyl)morpholine
SMILES [?]:
c1ccc(cc1)C=C2CCC=C2N3CCOCC3
InChi [?]:
InChI=1/C16H19NO/c1-2-5-14(6-3-1)13-15-7-4-8-16(15)17-9-11-18-12-10-17/h1-3,5-6,8,13H,4,7,9-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,3,5,9,11,14,18,15,17,7,4,8,12,13,16/E:(2,3)(5,6)(9,10)(11,12)/rA:18nCCCCCCCCCCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;s10;s8d11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.31356
Area:433.111
Solvation:-2.51421
Coulombic:-16.7082
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:241.328
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.85
LogP (Chemaxon):2.49

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