N-(1-ethenoxyethenyl)methanimine

C5H7NO — CID 123271731

IUPACN-(1-ethenoxyethenyl)methanimine
SMILESC=COC(=C)N=C
InChIInChI=1S/C5H7NO/c1-4-7-5(2)6-3/h4H,1-3H2
InChIKeyKGUHVHSRPOVRRJ-UHFFFAOYSA-N
MW97.12 g/mol
LogP1.32
Rot. Bonds3

About N-(1-ethenoxyethenyl)methanimine

N-(1-ethenoxyethenyl)methanimine (PubChem CID 123271731) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is N-(1-ethenoxyethenyl)methanimine.

Molecular Properties

Compound NameN-(1-ethenoxyethenyl)methanimine
PubChem CID123271731
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC NameN-(1-ethenoxyethenyl)methanimine
SMILESC=COC(=C)N=C
InChIInChI=1S/C5H7NO/c1-4-7-5(2)6-3/h4H,1-3H2
InChIKeyKGUHVHSRPOVRRJ-UHFFFAOYSA-N
XLogP1.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 51.32
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-ethenoxyethenyl)methanimine?
The IUPAC name of N-(1-ethenoxyethenyl)methanimine (CID 123271731) is N-(1-ethenoxyethenyl)methanimine.
What is the SMILES notation for N-(1-ethenoxyethenyl)methanimine?
The canonical SMILES for N-(1-ethenoxyethenyl)methanimine is C=COC(=C)N=C.
What is the InChIKey of N-(1-ethenoxyethenyl)methanimine?
The InChIKey is KGUHVHSRPOVRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-7-5(2)6-3/h4H,1-3H2.
What are the key properties of N-(1-ethenoxyethenyl)methanimine?
N-(1-ethenoxyethenyl)methanimine has a molecular weight of 97.12 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenoxyethenyl)methanimine is sourced from PubChem (CID 123271731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).