N-[(Z)-2-methoxyethenyl]methanimine

C4H7NO — CID 142972437

IUPACN-[(Z)-2-methoxyethenyl]methanimine
SMILESC=N/C=C\OC
InChIInChI=1S/C4H7NO/c1-5-3-4-6-2/h3-4H,1H2,2H3/b4-3-
InChIKeyPLOOZJAUEKISAH-ARJAWSKDSA-N
MW85.11 g/mol
LogP0.80
Rot. Bonds2

About N-[(Z)-2-methoxyethenyl]methanimine

N-[(Z)-2-methoxyethenyl]methanimine (PubChem CID 142972437) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is N-[(Z)-2-methoxyethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-methoxyethenyl]methanimine
PubChem CID142972437
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC NameN-[(Z)-2-methoxyethenyl]methanimine
SMILESC=N/C=C\OC
InChIInChI=1S/C4H7NO/c1-5-3-4-6-2/h3-4H,1H2,2H3/b4-3-
InChIKeyPLOOZJAUEKISAH-ARJAWSKDSA-N
XLogP0.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methoxyethenyl]methanimine?
The IUPAC name of N-[(Z)-2-methoxyethenyl]methanimine (CID 142972437) is N-[(Z)-2-methoxyethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-methoxyethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-methoxyethenyl]methanimine is C=N/C=C\OC.
What is the InChIKey of N-[(Z)-2-methoxyethenyl]methanimine?
The InChIKey is PLOOZJAUEKISAH-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H7NO/c1-5-3-4-6-2/h3-4H,1H2,2H3/b4-3-.
What are the key properties of N-[(Z)-2-methoxyethenyl]methanimine?
N-[(Z)-2-methoxyethenyl]methanimine has a molecular weight of 85.11 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methoxyethenyl]methanimine is sourced from PubChem (CID 142972437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).