N-methoxy-1-(5-methylfuran-2-yl)methanimine

C7H9NO2 — CID 59990756

IUPACN-methoxy-1-(5-methylfuran-2-yl)methanimine
SMILESCON=Cc1ccc(C)o1
InChIInChI=1S/C7H9NO2/c1-6-3-4-7(10-6)5-8-9-2/h3-5H,1-2H3
InChIKeyPSGUJWCYYVWGDW-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.57
Rot. Bonds2

About N-methoxy-1-(5-methylfuran-2-yl)methanimine

N-methoxy-1-(5-methylfuran-2-yl)methanimine (PubChem CID 59990756) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is N-methoxy-1-(5-methylfuran-2-yl)methanimine.

Molecular Properties

Compound NameN-methoxy-1-(5-methylfuran-2-yl)methanimine
PubChem CID59990756
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC NameN-methoxy-1-(5-methylfuran-2-yl)methanimine
SMILESCON=Cc1ccc(C)o1
InChIInChI=1S/C7H9NO2/c1-6-3-4-7(10-6)5-8-9-2/h3-5H,1-2H3
InChIKeyPSGUJWCYYVWGDW-UHFFFAOYSA-N
XLogP1.57
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-methoxy-1-(5-methylfuran-2-yl)methanimine?
The IUPAC name of N-methoxy-1-(5-methylfuran-2-yl)methanimine (CID 59990756) is N-methoxy-1-(5-methylfuran-2-yl)methanimine.
What is the SMILES notation for N-methoxy-1-(5-methylfuran-2-yl)methanimine?
The canonical SMILES for N-methoxy-1-(5-methylfuran-2-yl)methanimine is CON=Cc1ccc(C)o1.
What is the InChIKey of N-methoxy-1-(5-methylfuran-2-yl)methanimine?
The InChIKey is PSGUJWCYYVWGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-6-3-4-7(10-6)5-8-9-2/h3-5H,1-2H3.
What are the key properties of N-methoxy-1-(5-methylfuran-2-yl)methanimine?
N-methoxy-1-(5-methylfuran-2-yl)methanimine has a molecular weight of 139.15 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(5-methylfuran-2-yl)methanimine is sourced from PubChem (CID 59990756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).