1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone

C11H14N2O — CID 84662697

IUPAC1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone
SMILESNc1ccccc1C(=O)CC1CNC1
InChIInChI=1S/C11H14N2O/c12-10-4-2-1-3-9(10)11(14)5-8-6-13-7-8/h1-4,8,13H,5-7,12H2
InChIKeySJGFFISWIWWTOD-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.06
Rot. Bonds3

About 1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone

1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone (PubChem CID 84662697) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone
PubChem CID84662697
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone
SMILESNc1ccccc1C(=O)CC1CNC1
InChIInChI=1S/C11H14N2O/c12-10-4-2-1-3-9(10)11(14)5-8-6-13-7-8/h1-4,8,13H,5-7,12H2
InChIKeySJGFFISWIWWTOD-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone?
The IUPAC name of 1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone (CID 84662697) is 1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone?
The canonical SMILES for 1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone is Nc1ccccc1C(=O)CC1CNC1.
What is the InChIKey of 1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone?
The InChIKey is SJGFFISWIWWTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-10-4-2-1-3-9(10)11(14)5-8-6-13-7-8/h1-4,8,13H,5-7,12H2.
What are the key properties of 1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone?
1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone has a molecular weight of 190.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone is sourced from PubChem (CID 84662697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).