phenyl formate;1-prop-2-enylaziridine

C12H15NO2 — CID 173281167

IUPACphenyl formate;1-prop-2-enylaziridine
SMILESC=CCN1CC1.O=COc1ccccc1
InChIInChI=1S/C7H6O2.C5H9N/c8-6-9-7-4-2-1-3-5-7;1-2-3-6-4-5-6/h1-6H;2H,1,3-5H2
InChIKeyAYJSIXVHCMATHJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.71
Rot. Bonds4

About phenyl formate;1-prop-2-enylaziridine

phenyl formate;1-prop-2-enylaziridine (PubChem CID 173281167) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is phenyl formate;1-prop-2-enylaziridine.

Molecular Properties

Compound Namephenyl formate;1-prop-2-enylaziridine
PubChem CID173281167
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namephenyl formate;1-prop-2-enylaziridine
SMILESC=CCN1CC1.O=COc1ccccc1
InChIInChI=1S/C7H6O2.C5H9N/c8-6-9-7-4-2-1-3-5-7;1-2-3-6-4-5-6/h1-6H;2H,1,3-5H2
InChIKeyAYJSIXVHCMATHJ-UHFFFAOYSA-N
XLogP1.71
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 phenyl formate;1-prop-2-enylaziridine?
The IUPAC name of phenyl formate;1-prop-2-enylaziridine (CID 173281167) is phenyl formate;1-prop-2-enylaziridine.
What is the SMILES notation for phenyl formate;1-prop-2-enylaziridine?
The canonical SMILES for phenyl formate;1-prop-2-enylaziridine is C=CCN1CC1.O=COc1ccccc1.
What is the InChIKey of phenyl formate;1-prop-2-enylaziridine?
The InChIKey is AYJSIXVHCMATHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C5H9N/c8-6-9-7-4-2-1-3-5-7;1-2-3-6-4-5-6/h1-6H;2H,1,3-5H2.
What are the key properties of phenyl formate;1-prop-2-enylaziridine?
phenyl formate;1-prop-2-enylaziridine has a molecular weight of 205.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl formate;1-prop-2-enylaziridine is sourced from PubChem (CID 173281167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).