6-amino-2H-isoindol-1-ol

C8H8N2O — CID 91079452

IUPAC6-amino-2H-isoindol-1-ol
SMILESNc1ccc2c[nH]c(O)c2c1
InChIInChI=1S/C8H8N2O/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-4,10-11H,9H2
InChIKeyOQPPULCMIALSSP-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.46
Rot. Bonds

About 6-amino-2H-isoindol-1-ol

6-amino-2H-isoindol-1-ol (PubChem CID 91079452) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 6-amino-2H-isoindol-1-ol.

Molecular Properties

Compound Name6-amino-2H-isoindol-1-ol
PubChem CID91079452
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name6-amino-2H-isoindol-1-ol
SMILESNc1ccc2c[nH]c(O)c2c1
InChIInChI=1S/C8H8N2O/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-4,10-11H,9H2
InChIKeyOQPPULCMIALSSP-UHFFFAOYSA-N
XLogP1.46
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2H-isoindol-1-ol?
The IUPAC name of 6-amino-2H-isoindol-1-ol (CID 91079452) is 6-amino-2H-isoindol-1-ol.
What is the SMILES notation for 6-amino-2H-isoindol-1-ol?
The canonical SMILES for 6-amino-2H-isoindol-1-ol is Nc1ccc2c[nH]c(O)c2c1.
What is the InChIKey of 6-amino-2H-isoindol-1-ol?
The InChIKey is OQPPULCMIALSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-4,10-11H,9H2.
What are the key properties of 6-amino-2H-isoindol-1-ol?
6-amino-2H-isoindol-1-ol has a molecular weight of 148.16 g/mol, XLogP of 1.46, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2H-isoindol-1-ol is sourced from PubChem (CID 91079452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).