N',4-dihydroxybenzenecarboximidamide

C7H8N2O2 — CID 135585386

IUPACN',4-dihydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(O)cc1
InChIInChI=1S/C7H8N2O2/c8-7(9-11)5-1-3-6(10)4-2-5/h1-4,10-11H,(H2,8,9)
InChIKeyYJFXWNSNMVKGNA-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.49
Rot. Bonds1

About N',4-dihydroxybenzenecarboximidamide

N',4-dihydroxybenzenecarboximidamide (PubChem CID 135585386) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is N',4-dihydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN',4-dihydroxybenzenecarboximidamide
PubChem CID135585386
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC NameN',4-dihydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(O)cc1
InChIInChI=1S/C7H8N2O2/c8-7(9-11)5-1-3-6(10)4-2-5/h1-4,10-11H,(H2,8,9)
InChIKeyYJFXWNSNMVKGNA-UHFFFAOYSA-N
XLogP0.49
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.49
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',4-dihydroxybenzenecarboximidamide?
The IUPAC name of N',4-dihydroxybenzenecarboximidamide (CID 135585386) is N',4-dihydroxybenzenecarboximidamide.
What is the SMILES notation for N',4-dihydroxybenzenecarboximidamide?
The canonical SMILES for N',4-dihydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(O)cc1.
What is the InChIKey of N',4-dihydroxybenzenecarboximidamide?
The InChIKey is YJFXWNSNMVKGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-7(9-11)5-1-3-6(10)4-2-5/h1-4,10-11H,(H2,8,9).
What are the key properties of N',4-dihydroxybenzenecarboximidamide?
N',4-dihydroxybenzenecarboximidamide has a molecular weight of 152.15 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dihydroxybenzenecarboximidamide is sourced from PubChem (CID 135585386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).