3-phenylazetidin-2-one

C9H9NO — CID 28389

IUPAC3-phenylazetidin-2-one
SMILESO=C1NCC1c1ccccc1
InChIInChI=1S/C9H9NO/c11-9-8(6-10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChIKeyFLYOGASEASLVLV-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.90
Rot. Bonds1

About 3-phenylazetidin-2-one

3-phenylazetidin-2-one (PubChem CID 28389) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-phenylazetidin-2-one.

Molecular Properties

Compound Name3-phenylazetidin-2-one
PubChem CID28389
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name3-phenylazetidin-2-one
SMILESO=C1NCC1c1ccccc1
InChIInChI=1S/C9H9NO/c11-9-8(6-10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChIKeyFLYOGASEASLVLV-UHFFFAOYSA-N
XLogP0.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenylazetidin-2-one?
The IUPAC name of 3-phenylazetidin-2-one (CID 28389) is 3-phenylazetidin-2-one.
What is the SMILES notation for 3-phenylazetidin-2-one?
The canonical SMILES for 3-phenylazetidin-2-one is O=C1NCC1c1ccccc1.
What is the InChIKey of 3-phenylazetidin-2-one?
The InChIKey is FLYOGASEASLVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-8(6-10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11).
What are the key properties of 3-phenylazetidin-2-one?
3-phenylazetidin-2-one has a molecular weight of 147.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylazetidin-2-one is sourced from PubChem (CID 28389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).