Chemical ID: 6423667

C=CCC1CCCCC(=O)N1
Chemical ID:
6423667
Name [?]:
7-allylazepan-2-one
SMILES [?]:
C=CCC1CCCCC(=O)N1
InChi [?]:
InChI=1/C9H15NO/c1-2-5-8-6-3-4-7-9(11)10-8/h2,8H,1,3-7H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,3,5,8,4,9,11,10/rA:11cCCCCCCCCCON/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s4s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.44452
Area:322.022
Solvation:-1.60603
Coulombic:-22.289
Bond Count [?]
All:11
Single:9
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:153.222
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.43
LogP (Chemaxon):1.21

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