2-phenylazetidine

C9H11N — CID 568971

IUPAC2-phenylazetidine
SMILESc1ccc(C2CCN2)cc1
InChIInChI=1S/C9H11N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5,9-10H,6-7H2
InChIKeyCLNGGMJEJSANIE-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.72
Rot. Bonds1

About 2-phenylazetidine

2-phenylazetidine (PubChem CID 568971) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-phenylazetidine.

Molecular Properties

Compound Name2-phenylazetidine
PubChem CID568971
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-phenylazetidine
SMILESc1ccc(C2CCN2)cc1
InChIInChI=1S/C9H11N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5,9-10H,6-7H2
InChIKeyCLNGGMJEJSANIE-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylazetidine?
The IUPAC name of 2-phenylazetidine (CID 568971) is 2-phenylazetidine.
What is the SMILES notation for 2-phenylazetidine?
The canonical SMILES for 2-phenylazetidine is c1ccc(C2CCN2)cc1.
What is the InChIKey of 2-phenylazetidine?
The InChIKey is CLNGGMJEJSANIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5,9-10H,6-7H2.
What are the key properties of 2-phenylazetidine?
2-phenylazetidine has a molecular weight of 133.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylazetidine is sourced from PubChem (CID 568971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).