2,3-dihydrofuran-3-ylmethanimine

C5H7NO — CID 91283998

IUPAC2,3-dihydrofuran-3-ylmethanimine
SMILES[H]/N=C/C1C=COC1
InChIInChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h1-3,5-6H,4H2/b6-3+
InChIKeyUYWYVDLKEVTION-ZZXKWVIFSA-N
MW97.12 g/mol
LogP0.80
Rot. Bonds1

About 2,3-dihydrofuran-3-ylmethanimine

2,3-dihydrofuran-3-ylmethanimine (PubChem CID 91283998) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2,3-dihydrofuran-3-ylmethanimine.

Molecular Properties

Compound Name2,3-dihydrofuran-3-ylmethanimine
PubChem CID91283998
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2,3-dihydrofuran-3-ylmethanimine
SMILES[H]/N=C/C1C=COC1
InChIInChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h1-3,5-6H,4H2/b6-3+
InChIKeyUYWYVDLKEVTION-ZZXKWVIFSA-N
XLogP0.80
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.80
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 2,3-dihydrofuran-3-ylmethanimine?
The IUPAC name of 2,3-dihydrofuran-3-ylmethanimine (CID 91283998) is 2,3-dihydrofuran-3-ylmethanimine.
What is the SMILES notation for 2,3-dihydrofuran-3-ylmethanimine?
The canonical SMILES for 2,3-dihydrofuran-3-ylmethanimine is [H]/N=C/C1C=COC1.
What is the InChIKey of 2,3-dihydrofuran-3-ylmethanimine?
The InChIKey is UYWYVDLKEVTION-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h1-3,5-6H,4H2/b6-3+.
What are the key properties of 2,3-dihydrofuran-3-ylmethanimine?
2,3-dihydrofuran-3-ylmethanimine has a molecular weight of 97.12 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-3-ylmethanimine is sourced from PubChem (CID 91283998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).