2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

C10H15NO2 — CID 102648392

IUPAC2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESO=C(CC1CNC1)C1=CCCCO1
InChIInChI=1S/C10H15NO2/c12-9(5-8-6-11-7-8)10-3-1-2-4-13-10/h3,8,11H,1-2,4-7H2
InChIKeyLIPQGGAWIZXAKI-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.86
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102648392) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102648392
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESO=C(CC1CNC1)C1=CCCCO1
InChIInChI=1S/C10H15NO2/c12-9(5-8-6-11-7-8)10-3-1-2-4-13-10/h3,8,11H,1-2,4-7H2
InChIKeyLIPQGGAWIZXAKI-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102648392) is 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is O=C(CC1CNC1)C1=CCCCO1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is LIPQGGAWIZXAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9(5-8-6-11-7-8)10-3-1-2-4-13-10/h3,8,11H,1-2,4-7H2.
What are the key properties of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 181.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102648392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).