(3-methylfuran-2-yl)methanimine

C6H7NO — CID 86750093

IUPAC(3-methylfuran-2-yl)methanimine
SMILES[H]/N=C/c1occc1C
InChIInChI=1S/C6H7NO/c1-5-2-3-8-6(5)4-7/h2-4,7H,1H3/b7-4+
InChIKeyVZADAOYOZJJDJC-QPJJXVBHSA-N
MW109.13 g/mol
LogP1.59
Rot. Bonds1

About (3-methylfuran-2-yl)methanimine

(3-methylfuran-2-yl)methanimine (PubChem CID 86750093) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is (3-methylfuran-2-yl)methanimine.

Molecular Properties

Compound Name(3-methylfuran-2-yl)methanimine
PubChem CID86750093
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name(3-methylfuran-2-yl)methanimine
SMILES[H]/N=C/c1occc1C
InChIInChI=1S/C6H7NO/c1-5-2-3-8-6(5)4-7/h2-4,7H,1H3/b7-4+
InChIKeyVZADAOYOZJJDJC-QPJJXVBHSA-N
XLogP1.59
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)methanimine?
The IUPAC name of (3-methylfuran-2-yl)methanimine (CID 86750093) is (3-methylfuran-2-yl)methanimine.
What is the SMILES notation for (3-methylfuran-2-yl)methanimine?
The canonical SMILES for (3-methylfuran-2-yl)methanimine is [H]/N=C/c1occc1C.
What is the InChIKey of (3-methylfuran-2-yl)methanimine?
The InChIKey is VZADAOYOZJJDJC-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H7NO/c1-5-2-3-8-6(5)4-7/h2-4,7H,1H3/b7-4+.
What are the key properties of (3-methylfuran-2-yl)methanimine?
(3-methylfuran-2-yl)methanimine has a molecular weight of 109.13 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)methanimine is sourced from PubChem (CID 86750093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).