1-hydroxy-2-phenylguanidine

C7H9N3O — CID 10441868

IUPAC1-hydroxy-2-phenylguanidine
SMILESN/C(=N\c1ccccc1)NO
InChIInChI=1S/C7H9N3O/c8-7(10-11)9-6-4-2-1-3-5-6/h1-5,11H,(H3,8,9,10)
InChIKeyNPMOWVIHURUZDS-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.61
Rot. Bonds1

About 1-hydroxy-2-phenylguanidine

1-hydroxy-2-phenylguanidine (PubChem CID 10441868) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-hydroxy-2-phenylguanidine.

Molecular Properties

Compound Name1-hydroxy-2-phenylguanidine
PubChem CID10441868
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-hydroxy-2-phenylguanidine
SMILESN/C(=N\c1ccccc1)NO
InChIInChI=1S/C7H9N3O/c8-7(10-11)9-6-4-2-1-3-5-6/h1-5,11H,(H3,8,9,10)
InChIKeyNPMOWVIHURUZDS-UHFFFAOYSA-N
XLogP0.61
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-phenylguanidine?
The IUPAC name of 1-hydroxy-2-phenylguanidine (CID 10441868) is 1-hydroxy-2-phenylguanidine.
What is the SMILES notation for 1-hydroxy-2-phenylguanidine?
The canonical SMILES for 1-hydroxy-2-phenylguanidine is N/C(=N\c1ccccc1)NO.
What is the InChIKey of 1-hydroxy-2-phenylguanidine?
The InChIKey is NPMOWVIHURUZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7(10-11)9-6-4-2-1-3-5-6/h1-5,11H,(H3,8,9,10).
What are the key properties of 1-hydroxy-2-phenylguanidine?
1-hydroxy-2-phenylguanidine has a molecular weight of 151.17 g/mol, XLogP of 0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-phenylguanidine is sourced from PubChem (CID 10441868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).