N-ethenylethanimine

C4H7N — CID 13099158

IUPACN-ethenylethanimine
SMILESC=C/N=C/C
InChIInChI=1S/C4H7N/c1-3-5-4-2/h3-4H,1H2,2H3/b5-4+
InChIKeyTWGVJAAYKWNWTJ-SNAWJCMRSA-N
MW69.11 g/mol
LogP1.22
Rot. Bonds1

About N-ethenylethanimine

N-ethenylethanimine (PubChem CID 13099158) has the molecular formula C4H7N and a molecular weight of 69.11 g/mol. Its IUPAC name is N-ethenylethanimine.

Molecular Properties

Compound NameN-ethenylethanimine
PubChem CID13099158
Molecular FormulaC4H7N
Molecular Weight69.11 g/mol
Exact Mass69.06
IUPAC NameN-ethenylethanimine
SMILESC=C/N=C/C
InChIInChI=1S/C4H7N/c1-3-5-4-2/h3-4H,1H2,2H3/b5-4+
InChIKeyTWGVJAAYKWNWTJ-SNAWJCMRSA-N
XLogP1.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.11
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenylethanimine?
The IUPAC name of N-ethenylethanimine (CID 13099158) is N-ethenylethanimine.
What is the SMILES notation for N-ethenylethanimine?
The canonical SMILES for N-ethenylethanimine is C=C/N=C/C.
What is the InChIKey of N-ethenylethanimine?
The InChIKey is TWGVJAAYKWNWTJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H7N/c1-3-5-4-2/h3-4H,1H2,2H3/b5-4+.
What are the key properties of N-ethenylethanimine?
N-ethenylethanimine has a molecular weight of 69.11 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylethanimine is sourced from PubChem (CID 13099158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).