cyclohexyl-(3-hydroxyazetidin-1-yl)methanone

C10H17NO2 — CID 63107320

IUPACcyclohexyl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CC(O)C1
InChIInChI=1S/C10H17NO2/c12-9-6-11(7-9)10(13)8-4-2-1-3-5-8/h8-9,12H,1-7H2
InChIKeyLIGNHJBQQXUQMB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.77
Rot. Bonds1

About cyclohexyl-(3-hydroxyazetidin-1-yl)methanone

cyclohexyl-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 63107320) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is cyclohexyl-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3-hydroxyazetidin-1-yl)methanone
PubChem CID63107320
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namecyclohexyl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CC(O)C1
InChIInChI=1S/C10H17NO2/c12-9-6-11(7-9)10(13)8-4-2-1-3-5-8/h8-9,12H,1-7H2
InChIKeyLIGNHJBQQXUQMB-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of cyclohexyl-(3-hydroxyazetidin-1-yl)methanone (CID 63107320) is cyclohexyl-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(3-hydroxyazetidin-1-yl)methanone is O=C(C1CCCCC1)N1CC(O)C1.
What is the InChIKey of cyclohexyl-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is LIGNHJBQQXUQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9-6-11(7-9)10(13)8-4-2-1-3-5-8/h8-9,12H,1-7H2.
What are the key properties of cyclohexyl-(3-hydroxyazetidin-1-yl)methanone?
cyclohexyl-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 183.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 63107320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).