4-phenylazetidin-2-one;pyrrolidin-2-one

C13H16N2O2 — CID 67067150

IUPAC4-phenylazetidin-2-one;pyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)N1.O=C1CCCN1
InChIInChI=1S/C9H9NO.C4H7NO/c11-9-6-8(10-9)7-4-2-1-3-5-7;6-4-2-1-3-5-4/h1-5,8H,6H2,(H,10,11);1-3H2,(H,5,6)
InChIKeyWUAGVPXMAKAVLM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.14
Rot. Bonds1

About 4-phenylazetidin-2-one;pyrrolidin-2-one

4-phenylazetidin-2-one;pyrrolidin-2-one (PubChem CID 67067150) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-phenylazetidin-2-one;pyrrolidin-2-one.

Molecular Properties

Compound Name4-phenylazetidin-2-one;pyrrolidin-2-one
PubChem CID67067150
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-phenylazetidin-2-one;pyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)N1.O=C1CCCN1
InChIInChI=1S/C9H9NO.C4H7NO/c11-9-6-8(10-9)7-4-2-1-3-5-7;6-4-2-1-3-5-4/h1-5,8H,6H2,(H,10,11);1-3H2,(H,5,6)
InChIKeyWUAGVPXMAKAVLM-UHFFFAOYSA-N
XLogP1.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70464298
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CID 174862990
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CID 174413202
pyrrolidin-2-one;hydrate
CID 19382566
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Frequently Asked Questions

What is the IUPAC name of 4-phenylazetidin-2-one;pyrrolidin-2-one?
The IUPAC name of 4-phenylazetidin-2-one;pyrrolidin-2-one (CID 67067150) is 4-phenylazetidin-2-one;pyrrolidin-2-one.
What is the SMILES notation for 4-phenylazetidin-2-one;pyrrolidin-2-one?
The canonical SMILES for 4-phenylazetidin-2-one;pyrrolidin-2-one is O=C1CC(c2ccccc2)N1.O=C1CCCN1.
What is the InChIKey of 4-phenylazetidin-2-one;pyrrolidin-2-one?
The InChIKey is WUAGVPXMAKAVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C4H7NO/c11-9-6-8(10-9)7-4-2-1-3-5-7;6-4-2-1-3-5-4/h1-5,8H,6H2,(H,10,11);1-3H2,(H,5,6).
What are the key properties of 4-phenylazetidin-2-one;pyrrolidin-2-one?
4-phenylazetidin-2-one;pyrrolidin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylazetidin-2-one;pyrrolidin-2-one is sourced from PubChem (CID 67067150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).