2-ethenyl-1H-azirine

C4H5N — CID 66904804

IUPAC2-ethenyl-1H-azirine
SMILESC=CC1=CN1
InChIInChI=1S/C4H5N/c1-2-4-3-5-4/h2-3,5H,1H2
InChIKeyYSQLYPJSYGUNIV-UHFFFAOYSA-N
MW67.09 g/mol
LogP0.62
Rot. Bonds1

About 2-ethenyl-1H-azirine

2-ethenyl-1H-azirine (PubChem CID 66904804) has the molecular formula C4H5N and a molecular weight of 67.09 g/mol. Its IUPAC name is 2-ethenyl-1H-azirine.

Molecular Properties

Compound Name2-ethenyl-1H-azirine
PubChem CID66904804
Molecular FormulaC4H5N
Molecular Weight67.09 g/mol
Exact Mass67.04
IUPAC Name2-ethenyl-1H-azirine
SMILESC=CC1=CN1
InChIInChI=1S/C4H5N/c1-2-4-3-5-4/h2-3,5H,1H2
InChIKeyYSQLYPJSYGUNIV-UHFFFAOYSA-N
XLogP0.62
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.09
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1H-azirine?
The IUPAC name of 2-ethenyl-1H-azirine (CID 66904804) is 2-ethenyl-1H-azirine.
What is the SMILES notation for 2-ethenyl-1H-azirine?
The canonical SMILES for 2-ethenyl-1H-azirine is C=CC1=CN1.
What is the InChIKey of 2-ethenyl-1H-azirine?
The InChIKey is YSQLYPJSYGUNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N/c1-2-4-3-5-4/h2-3,5H,1H2.
What are the key properties of 2-ethenyl-1H-azirine?
2-ethenyl-1H-azirine has a molecular weight of 67.09 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1H-azirine is sourced from PubChem (CID 66904804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).