2-[(2R)-aziridin-2-yl]-6-propylphenol

C11H15NO — CID 165358418

IUPAC2-[(2R)-aziridin-2-yl]-6-propylphenol
SMILESCCCc1cccc([C@@H]2CN2)c1O
InChIInChI=1S/C11H15NO/c1-2-4-8-5-3-6-9(11(8)13)10-7-12-10/h3,5-6,10,12-13H,2,4,7H2,1H3/t10-/m0/s1
InChIKeyDIYFFSBUKRHIQB-JTQLQIEISA-N
MW177.25 g/mol
LogP1.99
Rot. Bonds3

About 2-[(2R)-aziridin-2-yl]-6-propylphenol

2-[(2R)-aziridin-2-yl]-6-propylphenol (PubChem CID 165358418) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(2R)-aziridin-2-yl]-6-propylphenol.

Molecular Properties

Compound Name2-[(2R)-aziridin-2-yl]-6-propylphenol
PubChem CID165358418
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-[(2R)-aziridin-2-yl]-6-propylphenol
SMILESCCCc1cccc([C@@H]2CN2)c1O
InChIInChI=1S/C11H15NO/c1-2-4-8-5-3-6-9(11(8)13)10-7-12-10/h3,5-6,10,12-13H,2,4,7H2,1H3/t10-/m0/s1
InChIKeyDIYFFSBUKRHIQB-JTQLQIEISA-N
XLogP1.99
TPSA42.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-[(2R)-aziridin-2-yl]-6-propylphenol?
The IUPAC name of 2-[(2R)-aziridin-2-yl]-6-propylphenol (CID 165358418) is 2-[(2R)-aziridin-2-yl]-6-propylphenol.
What is the SMILES notation for 2-[(2R)-aziridin-2-yl]-6-propylphenol?
The canonical SMILES for 2-[(2R)-aziridin-2-yl]-6-propylphenol is CCCc1cccc([C@@H]2CN2)c1O.
What is the InChIKey of 2-[(2R)-aziridin-2-yl]-6-propylphenol?
The InChIKey is DIYFFSBUKRHIQB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-8-5-3-6-9(11(8)13)10-7-12-10/h3,5-6,10,12-13H,2,4,7H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(2R)-aziridin-2-yl]-6-propylphenol?
2-[(2R)-aziridin-2-yl]-6-propylphenol has a molecular weight of 177.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-aziridin-2-yl]-6-propylphenol is sourced from PubChem (CID 165358418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).