Chemical ID: 5820984

CCCCN1C(C2=C(C1=O)CCCC2)O
Chemical ID:
5820984
Name [?]:
2-butyl-3-hydroxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
SMILES [?]:
CCCCN1C(C2=C(C1=O)CCCC2)O
InChi [?]:
InChI=1/C12H19NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h11,14H,2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,13,12,14,11,4,7,8,6,9,5,15,10/rA:15cCCCCNCCCCOCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s5s8;d9;s8;s11;s12;s7s13;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.46841
Area:391.835
Solvation:-2.32746
Coulombic:-34.5471
Bond Count [?]
All:16
Single:14
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:209.285
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.38
LogP (Chemaxon):1.65

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Descriptor Annotations

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