2-phenyl-1-propylaziridine

C11H15N — CID 11457852

IUPAC2-phenyl-1-propylaziridine
SMILESCCCN1CC1c1ccccc1
InChIInChI=1S/C11H15N/c1-2-8-12-9-11(12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyFLIPVKQYNWMJSJ-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.45
Rot. Bonds3

About 2-phenyl-1-propylaziridine

2-phenyl-1-propylaziridine (PubChem CID 11457852) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-phenyl-1-propylaziridine.

Molecular Properties

Compound Name2-phenyl-1-propylaziridine
PubChem CID11457852
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-phenyl-1-propylaziridine
SMILESCCCN1CC1c1ccccc1
InChIInChI=1S/C11H15N/c1-2-8-12-9-11(12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyFLIPVKQYNWMJSJ-UHFFFAOYSA-N
XLogP2.45
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
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-phenyl-1-propylaziridine?
The IUPAC name of 2-phenyl-1-propylaziridine (CID 11457852) is 2-phenyl-1-propylaziridine.
What is the SMILES notation for 2-phenyl-1-propylaziridine?
The canonical SMILES for 2-phenyl-1-propylaziridine is CCCN1CC1c1ccccc1.
What is the InChIKey of 2-phenyl-1-propylaziridine?
The InChIKey is FLIPVKQYNWMJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-8-12-9-11(12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 2-phenyl-1-propylaziridine?
2-phenyl-1-propylaziridine has a molecular weight of 161.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propylaziridine is sourced from PubChem (CID 11457852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).