N'-anilino-2-oxopropanimidamide

C9H11N3O — CID 6340113

IUPACN'-anilino-2-oxopropanimidamide
SMILESCC(=O)/C(N)=N\Nc1ccccc1
InChIInChI=1S/C9H11N3O/c1-7(13)9(10)12-11-8-5-3-2-4-6-8/h2-6,11H,1H3,(H2,10,12)
InChIKeyWFBLARNTYZWANF-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.96
Rot. Bonds3

About N'-anilino-2-oxopropanimidamide

N'-anilino-2-oxopropanimidamide (PubChem CID 6340113) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N'-anilino-2-oxopropanimidamide.

Molecular Properties

Compound NameN'-anilino-2-oxopropanimidamide
PubChem CID6340113
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN'-anilino-2-oxopropanimidamide
SMILESCC(=O)/C(N)=N\Nc1ccccc1
InChIInChI=1S/C9H11N3O/c1-7(13)9(10)12-11-8-5-3-2-4-6-8/h2-6,11H,1H3,(H2,10,12)
InChIKeyWFBLARNTYZWANF-UHFFFAOYSA-N
XLogP0.96
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-anilino-2-oxopropanimidamide?
The IUPAC name of N'-anilino-2-oxopropanimidamide (CID 6340113) is N'-anilino-2-oxopropanimidamide.
What is the SMILES notation for N'-anilino-2-oxopropanimidamide?
The canonical SMILES for N'-anilino-2-oxopropanimidamide is CC(=O)/C(N)=N\Nc1ccccc1.
What is the InChIKey of N'-anilino-2-oxopropanimidamide?
The InChIKey is WFBLARNTYZWANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(13)9(10)12-11-8-5-3-2-4-6-8/h2-6,11H,1H3,(H2,10,12).
What are the key properties of N'-anilino-2-oxopropanimidamide?
N'-anilino-2-oxopropanimidamide has a molecular weight of 177.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-2-oxopropanimidamide is sourced from PubChem (CID 6340113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).