1-[2-(azetidin-3-yl)phenyl]ethanone

C11H13NO — CID 90146789

IUPAC1-[2-(azetidin-3-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1C1CNC1
InChIInChI=1S/C11H13NO/c1-8(13)10-4-2-3-5-11(10)9-6-12-7-9/h2-5,9,12H,6-7H2,1H3
InChIKeyJQTYZXWGOAXOEN-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.58
Rot. Bonds2

About 1-[2-(azetidin-3-yl)phenyl]ethanone

1-[2-(azetidin-3-yl)phenyl]ethanone (PubChem CID 90146789) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)phenyl]ethanone
PubChem CID90146789
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-[2-(azetidin-3-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1C1CNC1
InChIInChI=1S/C11H13NO/c1-8(13)10-4-2-3-5-11(10)9-6-12-7-9/h2-5,9,12H,6-7H2,1H3
InChIKeyJQTYZXWGOAXOEN-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(azetidin-3-yl)phenyl]ethanone (CID 90146789) is 1-[2-(azetidin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(azetidin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(azetidin-3-yl)phenyl]ethanone is CC(=O)c1ccccc1C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)phenyl]ethanone?
The InChIKey is JQTYZXWGOAXOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(13)10-4-2-3-5-11(10)9-6-12-7-9/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 1-[2-(azetidin-3-yl)phenyl]ethanone?
1-[2-(azetidin-3-yl)phenyl]ethanone has a molecular weight of 175.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)phenyl]ethanone is sourced from PubChem (CID 90146789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).