3-ethenyl-2H-azirine

C4H5N — CID 70348808

IUPAC3-ethenyl-2H-azirine
SMILESC=CC1=NC1
InChIInChI=1S/C4H5N/c1-2-4-3-5-4/h2H,1,3H2
InChIKeyHFQCOMWSIQKEGC-UHFFFAOYSA-N
MW67.09 g/mol
LogP0.63
Rot. Bonds1

About 3-ethenyl-2H-azirine

3-ethenyl-2H-azirine (PubChem CID 70348808) has the molecular formula C4H5N and a molecular weight of 67.09 g/mol. Its IUPAC name is 3-ethenyl-2H-azirine.

Molecular Properties

Compound Name3-ethenyl-2H-azirine
PubChem CID70348808
Molecular FormulaC4H5N
Molecular Weight67.09 g/mol
Exact Mass67.04
IUPAC Name3-ethenyl-2H-azirine
SMILESC=CC1=NC1
InChIInChI=1S/C4H5N/c1-2-4-3-5-4/h2H,1,3H2
InChIKeyHFQCOMWSIQKEGC-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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2H-azirine?
The IUPAC name of 3-ethenyl-2H-azirine (CID 70348808) is 3-ethenyl-2H-azirine.
What is the SMILES notation for 3-ethenyl-2H-azirine?
The canonical SMILES for 3-ethenyl-2H-azirine is C=CC1=NC1.
What is the InChIKey of 3-ethenyl-2H-azirine?
The InChIKey is HFQCOMWSIQKEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N/c1-2-4-3-5-4/h2H,1,3H2.
What are the key properties of 3-ethenyl-2H-azirine?
3-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 3-ethenyl-2H-azirine is sourced from PubChem (CID 70348808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).