3,4-dihydroxybenzenecarboximidamide

C7H8N2O2 — CID 3027163

IUPAC3,4-dihydroxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(O)c(O)c1
InChIInChI=1S/C7H8N2O2/c8-7(9)4-1-2-5(10)6(11)3-4/h1-3,10-11H,(H3,8,9)
InChIKeyYKILLPJZPZOZSV-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.38
Rot. Bonds1

About 3,4-dihydroxybenzenecarboximidamide

3,4-dihydroxybenzenecarboximidamide (PubChem CID 3027163) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3,4-dihydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3,4-dihydroxybenzenecarboximidamide
PubChem CID3027163
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3,4-dihydroxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(O)c(O)c1
InChIInChI=1S/C7H8N2O2/c8-7(9)4-1-2-5(10)6(11)3-4/h1-3,10-11H,(H3,8,9)
InChIKeyYKILLPJZPZOZSV-UHFFFAOYSA-N
XLogP0.38
TPSA90.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxybenzenecarboximidamide?
The IUPAC name of 3,4-dihydroxybenzenecarboximidamide (CID 3027163) is 3,4-dihydroxybenzenecarboximidamide.
What is the SMILES notation for 3,4-dihydroxybenzenecarboximidamide?
The canonical SMILES for 3,4-dihydroxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxybenzenecarboximidamide?
The InChIKey is YKILLPJZPZOZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-7(9)4-1-2-5(10)6(11)3-4/h1-3,10-11H,(H3,8,9).
What are the key properties of 3,4-dihydroxybenzenecarboximidamide?
3,4-dihydroxybenzenecarboximidamide has a molecular weight of 152.15 g/mol, XLogP of 0.38, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxybenzenecarboximidamide is sourced from PubChem (CID 3027163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).