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Chemical ID: 4922799
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
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Experimental Annotations
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Descriptor Annotations
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