N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide

C11H11N3O — CID 4018661

IUPACN'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide
SMILESNC(=NO)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C11H11N3O/c12-11(13-15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8,15H,(H2,12,13)
InChIKeyVSNAFMWREQUERY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.57
Rot. Bonds2

About N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide

N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide (PubChem CID 4018661) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide
PubChem CID4018661
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide
SMILESNC(=NO)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C11H11N3O/c12-11(13-15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8,15H,(H2,12,13)
InChIKeyVSNAFMWREQUERY-UHFFFAOYSA-N
XLogP1.57
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.57
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': '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 N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide (CID 4018661) is N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide is NC(=NO)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide?
The InChIKey is VSNAFMWREQUERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11(13-15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8,15H,(H2,12,13).
What are the key properties of N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide?
N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide has a molecular weight of 201.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide is sourced from PubChem (CID 4018661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).