3-diazenyl-2H-isoindol-1-ol

C8H7N3O — CID 135618123

IUPAC3-diazenyl-2H-isoindol-1-ol
SMILES[H]/N=N/c1[nH]c(O)c2ccccc12
InChIInChI=1S/C8H7N3O/c9-11-7-5-3-1-2-4-6(5)8(12)10-7/h1-4,9-10,12H/b11-9+
InChIKeyKAQHNHMJUOWQGO-PKNBQFBNSA-N
MW161.16 g/mol
LogP2.54
Rot. Bonds1

About 3-diazenyl-2H-isoindol-1-ol

3-diazenyl-2H-isoindol-1-ol (PubChem CID 135618123) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-diazenyl-2H-isoindol-1-ol.

Molecular Properties

Compound Name3-diazenyl-2H-isoindol-1-ol
PubChem CID135618123
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-diazenyl-2H-isoindol-1-ol
SMILES[H]/N=N/c1[nH]c(O)c2ccccc12
InChIInChI=1S/C8H7N3O/c9-11-7-5-3-1-2-4-6(5)8(12)10-7/h1-4,9-10,12H/b11-9+
InChIKeyKAQHNHMJUOWQGO-PKNBQFBNSA-N
XLogP2.54
TPSA72.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-2H-isoindol-1-ol?
The IUPAC name of 3-diazenyl-2H-isoindol-1-ol (CID 135618123) is 3-diazenyl-2H-isoindol-1-ol.
What is the SMILES notation for 3-diazenyl-2H-isoindol-1-ol?
The canonical SMILES for 3-diazenyl-2H-isoindol-1-ol is [H]/N=N/c1[nH]c(O)c2ccccc12.
What is the InChIKey of 3-diazenyl-2H-isoindol-1-ol?
The InChIKey is KAQHNHMJUOWQGO-PKNBQFBNSA-N. The full InChI is InChI=1S/C8H7N3O/c9-11-7-5-3-1-2-4-6(5)8(12)10-7/h1-4,9-10,12H/b11-9+.
What are the key properties of 3-diazenyl-2H-isoindol-1-ol?
3-diazenyl-2H-isoindol-1-ol has a molecular weight of 161.16 g/mol, XLogP of 2.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-2H-isoindol-1-ol is sourced from PubChem (CID 135618123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).