N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine

C8H9NO — CID 131966190

IUPACN-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine
SMILESC=N/C=C\c1cocc1C
InChIInChI=1S/C8H9NO/c1-7-5-10-6-8(7)3-4-9-2/h3-6H,2H2,1H3/b4-3-
InChIKeyABUGIFXNTHEMAF-ARJAWSKDSA-N
MW135.17 g/mol
LogP2.26
Rot. Bonds2

About N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine

N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine (PubChem CID 131966190) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine
PubChem CID131966190
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC NameN-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine
SMILESC=N/C=C\c1cocc1C
InChIInChI=1S/C8H9NO/c1-7-5-10-6-8(7)3-4-9-2/h3-6H,2H2,1H3/b4-3-
InChIKeyABUGIFXNTHEMAF-ARJAWSKDSA-N
XLogP2.26
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine (CID 131966190) is N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine is C=N/C=C\c1cocc1C.
What is the InChIKey of N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine?
The InChIKey is ABUGIFXNTHEMAF-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H9NO/c1-7-5-10-6-8(7)3-4-9-2/h3-6H,2H2,1H3/b4-3-.
What are the key properties of N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine?
N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine has a molecular weight of 135.17 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-methylfuran-3-yl)ethenyl]methanimine is sourced from PubChem (CID 131966190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).