2-methylfuran-3-carboximidamide

C6H8N2O — CID 34180041

IUPAC2-methylfuran-3-carboximidamide
SMILES[H]/N=C(\N)c1ccoc1C
InChIInChI=1S/C6H8N2O/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H3,7,8)
InChIKeyCWPVKECFLCWALL-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.87
Rot. Bonds1

About 2-methylfuran-3-carboximidamide

2-methylfuran-3-carboximidamide (PubChem CID 34180041) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-methylfuran-3-carboximidamide.

Molecular Properties

Compound Name2-methylfuran-3-carboximidamide
PubChem CID34180041
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-methylfuran-3-carboximidamide
SMILES[H]/N=C(\N)c1ccoc1C
InChIInChI=1S/C6H8N2O/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H3,7,8)
InChIKeyCWPVKECFLCWALL-UHFFFAOYSA-N
XLogP0.87
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.87
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 2-methylfuran-3-carboximidamide?
The IUPAC name of 2-methylfuran-3-carboximidamide (CID 34180041) is 2-methylfuran-3-carboximidamide.
What is the SMILES notation for 2-methylfuran-3-carboximidamide?
The canonical SMILES for 2-methylfuran-3-carboximidamide is [H]/N=C(\N)c1ccoc1C.
What is the InChIKey of 2-methylfuran-3-carboximidamide?
The InChIKey is CWPVKECFLCWALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H3,7,8).
What are the key properties of 2-methylfuran-3-carboximidamide?
2-methylfuran-3-carboximidamide has a molecular weight of 124.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran-3-carboximidamide is sourced from PubChem (CID 34180041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).