1-phenylazetidin-2-one

C9H9NO — CID 570854

IUPAC1-phenylazetidin-2-one
SMILESO=C1CCN1c1ccccc1
InChIInChI=1S/C9H9NO/c11-9-6-7-10(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyOPISVEPYALEQJT-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.42
Rot. Bonds1

About 1-phenylazetidin-2-one

1-phenylazetidin-2-one (PubChem CID 570854) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-phenylazetidin-2-one.

Molecular Properties

Compound Name1-phenylazetidin-2-one
PubChem CID570854
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1-phenylazetidin-2-one
SMILESO=C1CCN1c1ccccc1
InChIInChI=1S/C9H9NO/c11-9-6-7-10(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyOPISVEPYALEQJT-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylazetidin-2-one?
The IUPAC name of 1-phenylazetidin-2-one (CID 570854) is 1-phenylazetidin-2-one.
What is the SMILES notation for 1-phenylazetidin-2-one?
The canonical SMILES for 1-phenylazetidin-2-one is O=C1CCN1c1ccccc1.
What is the InChIKey of 1-phenylazetidin-2-one?
The InChIKey is OPISVEPYALEQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-6-7-10(9)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 1-phenylazetidin-2-one?
1-phenylazetidin-2-one has a molecular weight of 147.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylazetidin-2-one is sourced from PubChem (CID 570854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).