2-cyclopropylaziridine

C5H9N — CID 57286269

IUPAC2-cyclopropylaziridine
SMILESC1CC1C1CN1
InChIInChI=1S/C5H9N/c1-2-4(1)5-3-6-5/h4-6H,1-3H2
InChIKeyTWSHAOXXFOESKM-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.37
Rot. Bonds1

About 2-cyclopropylaziridine

2-cyclopropylaziridine (PubChem CID 57286269) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 2-cyclopropylaziridine.

Molecular Properties

Compound Name2-cyclopropylaziridine
PubChem CID57286269
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name2-cyclopropylaziridine
SMILESC1CC1C1CN1
InChIInChI=1S/C5H9N/c1-2-4(1)5-3-6-5/h4-6H,1-3H2
InChIKeyTWSHAOXXFOESKM-UHFFFAOYSA-N
XLogP0.37
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylaziridine?
The IUPAC name of 2-cyclopropylaziridine (CID 57286269) is 2-cyclopropylaziridine.
What is the SMILES notation for 2-cyclopropylaziridine?
The canonical SMILES for 2-cyclopropylaziridine is C1CC1C1CN1.
What is the InChIKey of 2-cyclopropylaziridine?
The InChIKey is TWSHAOXXFOESKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-2-4(1)5-3-6-5/h4-6H,1-3H2.
What are the key properties of 2-cyclopropylaziridine?
2-cyclopropylaziridine has a molecular weight of 83.13 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylaziridine is sourced from PubChem (CID 57286269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).