5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide

C7H11N3O2 — CID 121210075

IUPAC5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide
SMILESCN(C)c1ccc(/C(N)=N/O)o1
InChIInChI=1S/C7H11N3O2/c1-10(2)6-4-3-5(12-6)7(8)9-11/h3-4,11H,1-2H3,(H2,8,9)
InChIKeyNELGHCOPKCXIOF-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.44
Rot. Bonds2

About 5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide

5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide (PubChem CID 121210075) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide.

Molecular Properties

Compound Name5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide
PubChem CID121210075
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide
SMILESCN(C)c1ccc(/C(N)=N/O)o1
InChIInChI=1S/C7H11N3O2/c1-10(2)6-4-3-5(12-6)7(8)9-11/h3-4,11H,1-2H3,(H2,8,9)
InChIKeyNELGHCOPKCXIOF-UHFFFAOYSA-N
XLogP0.44
TPSA74.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide?
The IUPAC name of 5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide (CID 121210075) is 5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide.
What is the SMILES notation for 5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide?
The canonical SMILES for 5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide is CN(C)c1ccc(/C(N)=N/O)o1.
What is the InChIKey of 5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide?
The InChIKey is NELGHCOPKCXIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10(2)6-4-3-5(12-6)7(8)9-11/h3-4,11H,1-2H3,(H2,8,9).
What are the key properties of 5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide?
5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide has a molecular weight of 169.18 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N'-hydroxyfuran-2-carboximidamide is sourced from PubChem (CID 121210075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).