7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one

C11H17NO2 — CID 21464110

IUPAC7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
SMILESO=C1C2CCOC2N1C1CCCCC1
InChIInChI=1S/C11H17NO2/c13-10-9-6-7-14-11(9)12(10)8-4-2-1-3-5-8/h8-9,11H,1-7H2
InChIKeyIDJQRTFFCWLSEI-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.52
Rot. Bonds1

About 7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one

7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one (PubChem CID 21464110) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
PubChem CID21464110
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
SMILESO=C1C2CCOC2N1C1CCCCC1
InChIInChI=1S/C11H17NO2/c13-10-9-6-7-14-11(9)12(10)8-4-2-1-3-5-8/h8-9,11H,1-7H2
InChIKeyIDJQRTFFCWLSEI-UHFFFAOYSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one?
The IUPAC name of 7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one (CID 21464110) is 7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for 7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one?
The canonical SMILES for 7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one is O=C1C2CCOC2N1C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one?
The InChIKey is IDJQRTFFCWLSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10-9-6-7-14-11(9)12(10)8-4-2-1-3-5-8/h8-9,11H,1-7H2.
What are the key properties of 7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one?
7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one has a molecular weight of 195.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 21464110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).