Chemical ID: 4922799

CN1C(=O)CCC1(C2CC=CC=C2)O
Chemical ID:
4922799
Name [?]:
5-(1-cyclohexa-2,4-dienyl)-5-hydroxy-1-methyl-pyrrolidin-2-one
SMILES [?]:
CN1C(=O)CCC1(C2CC=CC=C2)O
InChi [?]:
InChI=1/C11H15NO2/c1-12-10(13)7-8-11(12,14)9-5-3-2-4-6-9/h2-5,9,14H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,9,5,6,8,3,7,2,4,14/rA:14cCNCOCCCCCCCCCO/rB:s1;s2;d3;s3;s5;s2s6;s7;s8;s9;d10;s11;s8d12;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:6.16152
Area:350.804
Solvation:-2.60858
Coulombic:-33.6857
Bond Count [?]
All:15
Single:12
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.242
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.77
LogP (Chemaxon):1.15

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