Chemical ID: 5254310

CCCCCCN1C(CC1=O)c2ccccc2
Chemical ID:
5254310
Name [?]:
1-hexyl-4-phenyl-azetidin-2-one
SMILES [?]:
CCCCCCN1C(CC1=O)c2ccccc2
InChi [?]:
InChI=1/C15H21NO/c1-2-3-4-8-11-16-14(12-15(16)17)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,15,14,16,5,13,17,6,9,12,8,10,7,11/E:(6,7)(9,10)/rA:17cCCCCCCNCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s7s9;d10;s8;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.1839
Area:447.113
Solvation:-1.99393
Coulombic:-18.3626
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:231.333
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.77
LogP (Chemaxon):3.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue