2-prop-2-enylaziridine

C5H9N — CID 90730816

IUPAC2-prop-2-enylaziridine
SMILESC=CCC1CN1
InChIInChI=1S/C5H9N/c1-2-3-5-4-6-5/h2,5-6H,1,3-4H2
InChIKeyGMLZIQLAIXSZHL-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.53
Rot. Bonds2

About 2-prop-2-enylaziridine

2-prop-2-enylaziridine (PubChem CID 90730816) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 2-prop-2-enylaziridine.

Molecular Properties

Compound Name2-prop-2-enylaziridine
PubChem CID90730816
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name2-prop-2-enylaziridine
SMILESC=CCC1CN1
InChIInChI=1S/C5H9N/c1-2-3-5-4-6-5/h2,5-6H,1,3-4H2
InChIKeyGMLZIQLAIXSZHL-UHFFFAOYSA-N
XLogP0.53
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylaziridine?
The IUPAC name of 2-prop-2-enylaziridine (CID 90730816) is 2-prop-2-enylaziridine.
What is the SMILES notation for 2-prop-2-enylaziridine?
The canonical SMILES for 2-prop-2-enylaziridine is C=CCC1CN1.
What is the InChIKey of 2-prop-2-enylaziridine?
The InChIKey is GMLZIQLAIXSZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-2-3-5-4-6-5/h2,5-6H,1,3-4H2.
What are the key properties of 2-prop-2-enylaziridine?
2-prop-2-enylaziridine has a molecular weight of 83.13 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylaziridine is sourced from PubChem (CID 90730816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).