N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide

C8H10N2O2 — CID 43165091

IUPACN'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(CO)c1
InChIInChI=1S/C8H10N2O2/c9-8(10-12)7-3-1-2-6(4-7)5-11/h1-4,11-12H,5H2,(H2,9,10)
InChIKeyDKSFMGRTWCDFRB-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.27
Rot. Bonds2

About N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide

N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide (PubChem CID 43165091) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide
PubChem CID43165091
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(CO)c1
InChIInChI=1S/C8H10N2O2/c9-8(10-12)7-3-1-2-6(4-7)5-11/h1-4,11-12H,5H2,(H2,9,10)
InChIKeyDKSFMGRTWCDFRB-UHFFFAOYSA-N
XLogP0.27
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.27
H-Bond Donors ≤ 53
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-3-(hydroxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide (CID 43165091) is N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide is N/C(=N\O)c1cccc(CO)c1.
What is the InChIKey of N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide?
The InChIKey is DKSFMGRTWCDFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-8(10-12)7-3-1-2-6(4-7)5-11/h1-4,11-12H,5H2,(H2,9,10).
What are the key properties of N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide?
N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide has a molecular weight of 166.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(hydroxymethyl)benzenecarboximidamide is sourced from PubChem (CID 43165091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).