Chemical ID: 5254309

c1ccc(cc1)CN2C(CC2=O)c3ccccc3
Chemical ID:
5254309
Name [?]:
1-benzyl-4-phenyl-azetidin-2-one
SMILES [?]:
c1ccc(cc1)CN2C(CC2=O)c3ccccc3
InChi [?]:
InChI=1/C16H15NO/c18-16-11-15(14-9-5-2-6-10-14)17(16)12-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,10,7,4,13,9,11,8,12/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCCCCCCCNCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s8s10;d11;s9;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.72276
Area:398.227
Solvation:-2.2329
Coulombic:-18.7301
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.296
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.99
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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