4-phenylazetidin-2-one

C9H9NO — CID 568818

IUPAC4-phenylazetidin-2-one
SMILESO=C1CC(c2ccccc2)N1
InChIInChI=1S/C9H9NO/c11-9-6-8(10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChIKeyMWKMQPSNTJCASD-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.25
Rot. Bonds1

About 4-phenylazetidin-2-one

4-phenylazetidin-2-one (PubChem CID 568818) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-phenylazetidin-2-one.

Molecular Properties

Compound Name4-phenylazetidin-2-one
PubChem CID568818
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4-phenylazetidin-2-one
SMILESO=C1CC(c2ccccc2)N1
InChIInChI=1S/C9H9NO/c11-9-6-8(10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChIKeyMWKMQPSNTJCASD-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenylazetidin-2-one?
The IUPAC name of 4-phenylazetidin-2-one (CID 568818) is 4-phenylazetidin-2-one.
What is the SMILES notation for 4-phenylazetidin-2-one?
The canonical SMILES for 4-phenylazetidin-2-one is O=C1CC(c2ccccc2)N1.
What is the InChIKey of 4-phenylazetidin-2-one?
The InChIKey is MWKMQPSNTJCASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-6-8(10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11).
What are the key properties of 4-phenylazetidin-2-one?
4-phenylazetidin-2-one has a molecular weight of 147.18 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylazetidin-2-one is sourced from PubChem (CID 568818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).