85-40-5
C₈H₉NO₂·151.160 g/mol·CID 6808
IUPAC: 3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also known as: 1,2,3,6-TETRAHYDROPHTHALIMIDE, 4-Cyclohexene-1,2-dicarboximide, Tetrahydrophthalic acid imide, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-, delta(4)-Tetrahydrophthalimide (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
151.160g/mol
Exact Mass
151.063329Da
Monoisotopic Mass
151.063329Da
XLogP
0.2
Polar Surface Area
46.2Ų
Complexity
220
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
11
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 151.2 g/mol
MW ≤ 500
✓ 0.2
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)
Isomers8 compounds with formula C₈H₉NO₂
N-(4-hydroxyphenyl)acetamide
CID 1983 · 151.2 g/mol
methyl 2-aminobenzoate
CID 8635 · 151.2 g/mol
N-(3-hydroxyphenyl)acetamide
CID 12124 · 151.2 g/mol
N-(2-hydroxyphenyl)acetamide
CID 11972 · 151.2 g/mol
ethyl pyridine-3-carboxylate
CID 69188 · 151.2 g/mol
4-(aminomethyl)benzoic acid
CID 65526 · 151.2 g/mol
1,2-dimethyl-4-nitrobenzene
CID 7440 · 151.2 g/mol
4-methoxybenzamide
CID 76959 · 151.2 g/mol