3-methoxybenzenecarboximidamide

C8H10N2O — CID 5108695

IUPAC3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1
InChIInChI=1S/C8H10N2O/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H3,9,10)
InChIKeyZSHGVAIVMZVMPD-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.98
Rot. Bonds2

About 3-methoxybenzenecarboximidamide

3-methoxybenzenecarboximidamide (PubChem CID 5108695) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-methoxybenzenecarboximidamide
PubChem CID5108695
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1
InChIInChI=1S/C8H10N2O/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H3,9,10)
InChIKeyZSHGVAIVMZVMPD-UHFFFAOYSA-N
XLogP0.98
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methoxybenzenecarboximidamide?
The IUPAC name of 3-methoxybenzenecarboximidamide (CID 5108695) is 3-methoxybenzenecarboximidamide.
What is the SMILES notation for 3-methoxybenzenecarboximidamide?
The canonical SMILES for 3-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cccc(OC)c1.
What is the InChIKey of 3-methoxybenzenecarboximidamide?
The InChIKey is ZSHGVAIVMZVMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H3,9,10).
What are the key properties of 3-methoxybenzenecarboximidamide?
3-methoxybenzenecarboximidamide has a molecular weight of 150.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybenzenecarboximidamide is sourced from PubChem (CID 5108695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).