1-acetamido-1-phenylguanidine

C9H12N4O — CID 54163778

IUPAC1-acetamido-1-phenylguanidine
SMILES[H]/N=C(\N)N(NC(C)=O)c1ccccc1
InChIInChI=1S/C9H12N4O/c1-7(14)12-13(9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,11)(H,12,14)
InChIKeyOQFWMWKOLMGFQG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.44
Rot. Bonds1

About 1-acetamido-1-phenylguanidine

1-acetamido-1-phenylguanidine (PubChem CID 54163778) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-acetamido-1-phenylguanidine.

Molecular Properties

Compound Name1-acetamido-1-phenylguanidine
PubChem CID54163778
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-acetamido-1-phenylguanidine
SMILES[H]/N=C(\N)N(NC(C)=O)c1ccccc1
InChIInChI=1S/C9H12N4O/c1-7(14)12-13(9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,11)(H,12,14)
InChIKeyOQFWMWKOLMGFQG-UHFFFAOYSA-N
XLogP0.44
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.44
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-acetamido-1-phenylguanidine?
The IUPAC name of 1-acetamido-1-phenylguanidine (CID 54163778) is 1-acetamido-1-phenylguanidine.
What is the SMILES notation for 1-acetamido-1-phenylguanidine?
The canonical SMILES for 1-acetamido-1-phenylguanidine is [H]/N=C(\N)N(NC(C)=O)c1ccccc1.
What is the InChIKey of 1-acetamido-1-phenylguanidine?
The InChIKey is OQFWMWKOLMGFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7(14)12-13(9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,11)(H,12,14).
What are the key properties of 1-acetamido-1-phenylguanidine?
1-acetamido-1-phenylguanidine has a molecular weight of 192.22 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-1-phenylguanidine is sourced from PubChem (CID 54163778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).