1-cyclopropylazirine

C5H7N — CID 154525274

IUPAC1-cyclopropylazirine
SMILESC1=CN1C1CC1
InChIInChI=1S/C5H7N/c1-2-5(1)6-3-4-6/h3-5H,1-2H2
InChIKeyQOLNGBJWHBRBLE-UHFFFAOYSA-N
MW81.12 g/mol
LogP0.94
Rot. Bonds1

About 1-cyclopropylazirine

1-cyclopropylazirine (PubChem CID 154525274) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 1-cyclopropylazirine.

Molecular Properties

Compound Name1-cyclopropylazirine
PubChem CID154525274
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name1-cyclopropylazirine
SMILESC1=CN1C1CC1
InChIInChI=1S/C5H7N/c1-2-5(1)6-3-4-6/h3-5H,1-2H2
InChIKeyQOLNGBJWHBRBLE-UHFFFAOYSA-N
XLogP0.94
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylazirine?
The IUPAC name of 1-cyclopropylazirine (CID 154525274) is 1-cyclopropylazirine.
What is the SMILES notation for 1-cyclopropylazirine?
The canonical SMILES for 1-cyclopropylazirine is C1=CN1C1CC1.
What is the InChIKey of 1-cyclopropylazirine?
The InChIKey is QOLNGBJWHBRBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-2-5(1)6-3-4-6/h3-5H,1-2H2.
What are the key properties of 1-cyclopropylazirine?
1-cyclopropylazirine has a molecular weight of 81.12 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylazirine is sourced from PubChem (CID 154525274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).