N-(1-methoxyethenyl)methanimine

C4H7NO — CID 123326065

IUPACN-(1-methoxyethenyl)methanimine
SMILESC=NC(=C)OC
InChIInChI=1S/C4H7NO/c1-4(5-2)6-3/h1-2H2,3H3
InChIKeyICYWEPMFGSCNCR-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.80
Rot. Bonds2

About N-(1-methoxyethenyl)methanimine

N-(1-methoxyethenyl)methanimine (PubChem CID 123326065) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is N-(1-methoxyethenyl)methanimine.

Molecular Properties

Compound NameN-(1-methoxyethenyl)methanimine
PubChem CID123326065
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC NameN-(1-methoxyethenyl)methanimine
SMILESC=NC(=C)OC
InChIInChI=1S/C4H7NO/c1-4(5-2)6-3/h1-2H2,3H3
InChIKeyICYWEPMFGSCNCR-UHFFFAOYSA-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-(1-methoxyethenyl)methanimine?
The IUPAC name of N-(1-methoxyethenyl)methanimine (CID 123326065) is N-(1-methoxyethenyl)methanimine.
What is the SMILES notation for N-(1-methoxyethenyl)methanimine?
The canonical SMILES for N-(1-methoxyethenyl)methanimine is C=NC(=C)OC.
What is the InChIKey of N-(1-methoxyethenyl)methanimine?
The InChIKey is ICYWEPMFGSCNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-4(5-2)6-3/h1-2H2,3H3.
What are the key properties of N-(1-methoxyethenyl)methanimine?
N-(1-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-(1-methoxyethenyl)methanimine is sourced from PubChem (CID 123326065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).