2-benzyl-1-hydroxyguanidine

C8H11N3O — CID 11073768

IUPAC2-benzyl-1-hydroxyguanidine
SMILESN/C(=N\Cc1ccccc1)NO
InChIInChI=1S/C8H11N3O/c9-8(11-12)10-6-7-4-2-1-3-5-7/h1-5,12H,6H2,(H3,9,10,11)
InChIKeyVXOCEOWXFITVBV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.48
Rot. Bonds2

About 2-benzyl-1-hydroxyguanidine

2-benzyl-1-hydroxyguanidine (PubChem CID 11073768) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-benzyl-1-hydroxyguanidine.

Molecular Properties

Compound Name2-benzyl-1-hydroxyguanidine
PubChem CID11073768
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-benzyl-1-hydroxyguanidine
SMILESN/C(=N\Cc1ccccc1)NO
InChIInChI=1S/C8H11N3O/c9-8(11-12)10-6-7-4-2-1-3-5-7/h1-5,12H,6H2,(H3,9,10,11)
InChIKeyVXOCEOWXFITVBV-UHFFFAOYSA-N
XLogP0.48
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.48
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 2-benzyl-1-hydroxyguanidine?
The IUPAC name of 2-benzyl-1-hydroxyguanidine (CID 11073768) is 2-benzyl-1-hydroxyguanidine.
What is the SMILES notation for 2-benzyl-1-hydroxyguanidine?
The canonical SMILES for 2-benzyl-1-hydroxyguanidine is N/C(=N\Cc1ccccc1)NO.
What is the InChIKey of 2-benzyl-1-hydroxyguanidine?
The InChIKey is VXOCEOWXFITVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-8(11-12)10-6-7-4-2-1-3-5-7/h1-5,12H,6H2,(H3,9,10,11).
What are the key properties of 2-benzyl-1-hydroxyguanidine?
2-benzyl-1-hydroxyguanidine has a molecular weight of 165.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-hydroxyguanidine is sourced from PubChem (CID 11073768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).