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

C9H13NO2 — CID 102648397

IUPACazetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CNC1
InChIInChI=1S/C9H13NO2/c11-9(7-5-10-6-7)8-3-1-2-4-12-8/h3,7,10H,1-2,4-6H2
InChIKeyOPMUMDVCLACUDU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.47
Rot. Bonds2

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

azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648397) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648397
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameazetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CNC1
InChIInChI=1S/C9H13NO2/c11-9(7-5-10-6-7)8-3-1-2-4-12-8/h3,7,10H,1-2,4-6H2
InChIKeyOPMUMDVCLACUDU-UHFFFAOYSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648304
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648329
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 102648332
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
CID 102648334
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648392
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-3-(methylamino)propan-1-one
CID 102648408
1-(4,5-Dihydrofuran-2-yl)-3-(methylamino)propan-1-one
CID 102652440
1-(2,3-Dihydrofuran-5-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 102652455
Azetidin-3-yl(2,3-dihydrofuran-5-yl)methanone
CID 102652521
1-(2,3-Dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one
CID 102652532
2,3-Dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone
CID 131059173

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648397) is azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)C1CNC1.
What is the InChIKey of azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is OPMUMDVCLACUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-9(7-5-10-6-7)8-3-1-2-4-12-8/h3,7,10H,1-2,4-6H2.
What are the key properties of azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 167.21 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).