(2S)-2-(4-prop-2-enoxyphenyl)aziridine

C11H13NO — CID 55263639

IUPAC(2S)-2-(4-prop-2-enoxyphenyl)aziridine
SMILESC=CCOc1ccc([C@H]2CN2)cc1
InChIInChI=1S/C11H13NO/c1-2-7-13-10-5-3-9(4-6-10)11-8-12-11/h2-6,11-12H,1,7-8H2/t11-/m1/s1
InChIKeyZUUSUAFUNGYIEJ-LLVKDONJSA-N
MW175.23 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-(4-prop-2-enoxyphenyl)aziridine

(2S)-2-(4-prop-2-enoxyphenyl)aziridine (PubChem CID 55263639) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (2S)-2-(4-prop-2-enoxyphenyl)aziridine.

Molecular Properties

Compound Name(2S)-2-(4-prop-2-enoxyphenyl)aziridine
PubChem CID55263639
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(2S)-2-(4-prop-2-enoxyphenyl)aziridine
SMILESC=CCOc1ccc([C@H]2CN2)cc1
InChIInChI=1S/C11H13NO/c1-2-7-13-10-5-3-9(4-6-10)11-8-12-11/h2-6,11-12H,1,7-8H2/t11-/m1/s1
InChIKeyZUUSUAFUNGYIEJ-LLVKDONJSA-N
XLogP1.90
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S)-2-(4-prop-2-enoxyphenyl)aziridine?
The IUPAC name of (2S)-2-(4-prop-2-enoxyphenyl)aziridine (CID 55263639) is (2S)-2-(4-prop-2-enoxyphenyl)aziridine.
What is the SMILES notation for (2S)-2-(4-prop-2-enoxyphenyl)aziridine?
The canonical SMILES for (2S)-2-(4-prop-2-enoxyphenyl)aziridine is C=CCOc1ccc([C@H]2CN2)cc1.
What is the InChIKey of (2S)-2-(4-prop-2-enoxyphenyl)aziridine?
The InChIKey is ZUUSUAFUNGYIEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-7-13-10-5-3-9(4-6-10)11-8-12-11/h2-6,11-12H,1,7-8H2/t11-/m1/s1.
What are the key properties of (2S)-2-(4-prop-2-enoxyphenyl)aziridine?
(2S)-2-(4-prop-2-enoxyphenyl)aziridine has a molecular weight of 175.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-prop-2-enoxyphenyl)aziridine is sourced from PubChem (CID 55263639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).