2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride

C10H10ClN3O2 — CID 42625672

IUPAC2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride
SMILESCl.NC1=NC2(O)c3ccccc3C(=O)N2C1
InChIInChI=1S/C10H9N3O2.ClH/c11-8-5-13-9(14)6-3-1-2-4-7(6)10(13,15)12-8;/h1-4,15H,5H2,(H2,11,12);1H
InChIKeyZLFOPGDTTZRBRL-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.04
Rot. Bonds

About 2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride

2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride (PubChem CID 42625672) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride.

Molecular Properties

Compound Name2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride
PubChem CID42625672
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride
SMILESCl.NC1=NC2(O)c3ccccc3C(=O)N2C1
InChIInChI=1S/C10H9N3O2.ClH/c11-8-5-13-9(14)6-3-1-2-4-7(6)10(13,15)12-8;/h1-4,15H,5H2,(H2,11,12);1H
InChIKeyZLFOPGDTTZRBRL-UHFFFAOYSA-N
XLogP0.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

11b-hydroxy-1,3,4,5-tetrahydro-[1,4]selenazepino[3,4-a]isoindol-7-one
CID 156612535
12-hydroxy-4,7,10-trithia-1-azatricyclo[10.7.0.013,18]nonadeca-13,15,17-trien-19-one
CID 10783438
1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 21398427
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
CID 14203513
(12bR)-12b-hydroxy-1,4-dimethoxy-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
CID 139190761
(13bR)-2-benzyl-13b-hydroxy-5-methyl-4,7-dihydro-1H-[1,4,7]triazonino[2,1-a]isoindole-3,6,9-trione
CID 139119717
12b-(hydroxymethyl)-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
CID 100952357
(1S,9bR)-9b-hydroxy-1-(2-oxopropyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
CID 102597734
1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one
CID 134970255
10-methyl-8-methylidene-6-oxa-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,11,13,15-pentaen-17-one
CID 15417705
2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one
CID 11195097
(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
CID 848840

Frequently Asked Questions

What is the IUPAC name of 2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride?
The IUPAC name of 2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride (CID 42625672) is 2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride.
What is the SMILES notation for 2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride?
The canonical SMILES for 2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride is Cl.NC1=NC2(O)c3ccccc3C(=O)N2C1.
What is the InChIKey of 2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride?
The InChIKey is ZLFOPGDTTZRBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2.ClH/c11-8-5-13-9(14)6-3-1-2-4-7(6)10(13,15)12-8;/h1-4,15H,5H2,(H2,11,12);1H.
What are the key properties of 2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride?
2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride has a molecular weight of 239.66 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride is sourced from PubChem (CID 42625672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).