1-(2-oxocyclohexyl)azetidin-2-one

C9H13NO2 — CID 22079671

IUPAC1-(2-oxocyclohexyl)azetidin-2-one
SMILESO=C1CCCCC1N1CCC1=O
InChIInChI=1S/C9H13NO2/c11-8-4-2-1-3-7(8)10-6-5-9(10)12/h7H,1-6H2
InChIKeyWXHSDQHKZHMERQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.73
Rot. Bonds1

About 1-(2-oxocyclohexyl)azetidin-2-one

1-(2-oxocyclohexyl)azetidin-2-one (PubChem CID 22079671) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-oxocyclohexyl)azetidin-2-one.

Molecular Properties

Compound Name1-(2-oxocyclohexyl)azetidin-2-one
PubChem CID22079671
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2-oxocyclohexyl)azetidin-2-one
SMILESO=C1CCCCC1N1CCC1=O
InChIInChI=1S/C9H13NO2/c11-8-4-2-1-3-7(8)10-6-5-9(10)12/h7H,1-6H2
InChIKeyWXHSDQHKZHMERQ-UHFFFAOYSA-N
XLogP0.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxocyclohexyl)azetidin-2-one?
The IUPAC name of 1-(2-oxocyclohexyl)azetidin-2-one (CID 22079671) is 1-(2-oxocyclohexyl)azetidin-2-one.
What is the SMILES notation for 1-(2-oxocyclohexyl)azetidin-2-one?
The canonical SMILES for 1-(2-oxocyclohexyl)azetidin-2-one is O=C1CCCCC1N1CCC1=O.
What is the InChIKey of 1-(2-oxocyclohexyl)azetidin-2-one?
The InChIKey is WXHSDQHKZHMERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8-4-2-1-3-7(8)10-6-5-9(10)12/h7H,1-6H2.
What are the key properties of 1-(2-oxocyclohexyl)azetidin-2-one?
1-(2-oxocyclohexyl)azetidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxocyclohexyl)azetidin-2-one is sourced from PubChem (CID 22079671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).