1-hydroxyindole-4-carboximidamide

C9H9N3O — CID 68773031

IUPAC1-hydroxyindole-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1ccn2O
InChIInChI=1S/C9H9N3O/c10-9(11)7-2-1-3-8-6(7)4-5-12(8)13/h1-5,13H,(H3,10,11)
InChIKeyXJEQONQMQFTCJA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.16
Rot. Bonds1

About 1-hydroxyindole-4-carboximidamide

1-hydroxyindole-4-carboximidamide (PubChem CID 68773031) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-hydroxyindole-4-carboximidamide.

Molecular Properties

Compound Name1-hydroxyindole-4-carboximidamide
PubChem CID68773031
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-hydroxyindole-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1ccn2O
InChIInChI=1S/C9H9N3O/c10-9(11)7-2-1-3-8-6(7)4-5-12(8)13/h1-5,13H,(H3,10,11)
InChIKeyXJEQONQMQFTCJA-UHFFFAOYSA-N
XLogP1.16
TPSA75.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyindole-4-carboximidamide?
The IUPAC name of 1-hydroxyindole-4-carboximidamide (CID 68773031) is 1-hydroxyindole-4-carboximidamide.
What is the SMILES notation for 1-hydroxyindole-4-carboximidamide?
The canonical SMILES for 1-hydroxyindole-4-carboximidamide is [H]/N=C(\N)c1cccc2c1ccn2O.
What is the InChIKey of 1-hydroxyindole-4-carboximidamide?
The InChIKey is XJEQONQMQFTCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-9(11)7-2-1-3-8-6(7)4-5-12(8)13/h1-5,13H,(H3,10,11).
What are the key properties of 1-hydroxyindole-4-carboximidamide?
1-hydroxyindole-4-carboximidamide has a molecular weight of 175.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyindole-4-carboximidamide is sourced from PubChem (CID 68773031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).