2-hydroxy-2-phenylpropanimidamide

C9H12N2O — CID 23422943

IUPAC2-hydroxy-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(C)(O)c1ccccc1
InChIInChI=1S/C9H12N2O/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H3,10,11)
InChIKeyZVYWQFCGNWHABY-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.83
Rot. Bonds2

About 2-hydroxy-2-phenylpropanimidamide

2-hydroxy-2-phenylpropanimidamide (PubChem CID 23422943) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name2-hydroxy-2-phenylpropanimidamide
PubChem CID23422943
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-hydroxy-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(C)(O)c1ccccc1
InChIInChI=1S/C9H12N2O/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H3,10,11)
InChIKeyZVYWQFCGNWHABY-UHFFFAOYSA-N
XLogP0.83
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.83
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 2-hydroxy-2-phenylpropanimidamide (CID 23422943) is 2-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 2-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 2-hydroxy-2-phenylpropanimidamide is [H]/N=C(\N)C(C)(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylpropanimidamide?
The InChIKey is ZVYWQFCGNWHABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H3,10,11).
What are the key properties of 2-hydroxy-2-phenylpropanimidamide?
2-hydroxy-2-phenylpropanimidamide has a molecular weight of 164.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 23422943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).