N-(furan-3-ylmethoxy)methanimine

C6H7NO2 — CID 174420118

IUPACN-(furan-3-ylmethoxy)methanimine
SMILESC=NOCc1ccoc1
InChIInChI=1S/C6H7NO2/c1-7-9-5-6-2-3-8-4-6/h2-4H,1,5H2
InChIKeyCCKJPHNPVLAYOS-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.41
Rot. Bonds3

About N-(furan-3-ylmethoxy)methanimine

N-(furan-3-ylmethoxy)methanimine (PubChem CID 174420118) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is N-(furan-3-ylmethoxy)methanimine.

Molecular Properties

Compound NameN-(furan-3-ylmethoxy)methanimine
PubChem CID174420118
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC NameN-(furan-3-ylmethoxy)methanimine
SMILESC=NOCc1ccoc1
InChIInChI=1S/C6H7NO2/c1-7-9-5-6-2-3-8-4-6/h2-4H,1,5H2
InChIKeyCCKJPHNPVLAYOS-UHFFFAOYSA-N
XLogP1.41
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.41
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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Related Compounds

3-Furaldehyde
CID 10351
Methyl furan-3-carboxylate
CID 14918
3-Furanmethanol
CID 20449
(E)-furan-3-carbaldehyde oxime
CID 9617592
3-Furylmethyl acetate
CID 566611
Furan-3-ylmethyl 2-methylbutanoate
CID 57828723
Furan-3-ylmethyl butanoate
CID 139696747
(NZ)-N-(furan-3-ylmethylidene)hydroxylamine
CID 5428468
3-(But-2-ynoxymethyl)furan
CID 85904767
Furan-3-ylmethyl 2-methylpropanoate
CID 171935622
Furan-3-ylmethyl 3-methylbutanoate
CID 171935625
3-Furaldehyde dimethyl acetal
CID 12708705

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethoxy)methanimine?
The IUPAC name of N-(furan-3-ylmethoxy)methanimine (CID 174420118) is N-(furan-3-ylmethoxy)methanimine.
What is the SMILES notation for N-(furan-3-ylmethoxy)methanimine?
The canonical SMILES for N-(furan-3-ylmethoxy)methanimine is C=NOCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethoxy)methanimine?
The InChIKey is CCKJPHNPVLAYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-7-9-5-6-2-3-8-4-6/h2-4H,1,5H2.
What are the key properties of N-(furan-3-ylmethoxy)methanimine?
N-(furan-3-ylmethoxy)methanimine has a molecular weight of 125.13 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethoxy)methanimine is sourced from PubChem (CID 174420118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).