2-ethenyl-2H-azirine

C4H5N — CID 11479726

IUPAC2-ethenyl-2H-azirine
SMILESC=CC1C=N1
InChIInChI=1S/C4H5N/c1-2-4-3-5-4/h2-4H,1H2
InChIKeyNFOUEIPNPLCVDM-UHFFFAOYSA-N
MW67.09 g/mol
LogP0.63
Rot. Bonds1

About 2-ethenyl-2H-azirine

2-ethenyl-2H-azirine (PubChem CID 11479726) has the molecular formula C4H5N and a molecular weight of 67.09 g/mol. Its IUPAC name is 2-ethenyl-2H-azirine.

Molecular Properties

Compound Name2-ethenyl-2H-azirine
PubChem CID11479726
Molecular FormulaC4H5N
Molecular Weight67.09 g/mol
Exact Mass67.04
IUPAC Name2-ethenyl-2H-azirine
SMILESC=CC1C=N1
InChIInChI=1S/C4H5N/c1-2-4-3-5-4/h2-4H,1H2
InChIKeyNFOUEIPNPLCVDM-UHFFFAOYSA-N
XLogP0.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.09
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2H-azirine?
The IUPAC name of 2-ethenyl-2H-azirine (CID 11479726) is 2-ethenyl-2H-azirine.
What is the SMILES notation for 2-ethenyl-2H-azirine?
The canonical SMILES for 2-ethenyl-2H-azirine is C=CC1C=N1.
What is the InChIKey of 2-ethenyl-2H-azirine?
The InChIKey is NFOUEIPNPLCVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N/c1-2-4-3-5-4/h2-4H,1H2.
What are the key properties of 2-ethenyl-2H-azirine?
2-ethenyl-2H-azirine has a molecular weight of 67.09 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2H-azirine is sourced from PubChem (CID 11479726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).