7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one

C10H15NO3 — CID 121307899

IUPAC7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one
SMILESCC(=O)CC1CC2COCC(N2)C1=O
InChIInChI=1S/C10H15NO3/c1-6(12)2-7-3-8-4-14-5-9(11-8)10(7)13/h7-9,11H,2-5H2,1H3
InChIKeyCPIWDFZKZCJKIJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.09
Rot. Bonds2

About 7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one

7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one (PubChem CID 121307899) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one.

Molecular Properties

Compound Name7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one
PubChem CID121307899
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one
SMILESCC(=O)CC1CC2COCC(N2)C1=O
InChIInChI=1S/C10H15NO3/c1-6(12)2-7-3-8-4-14-5-9(11-8)10(7)13/h7-9,11H,2-5H2,1H3
InChIKeyCPIWDFZKZCJKIJ-UHFFFAOYSA-N
XLogP-0.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one?
The IUPAC name of 7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one (CID 121307899) is 7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one.
What is the SMILES notation for 7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one?
The canonical SMILES for 7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one is CC(=O)CC1CC2COCC(N2)C1=O.
What is the InChIKey of 7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one?
The InChIKey is CPIWDFZKZCJKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(12)2-7-3-8-4-14-5-9(11-8)10(7)13/h7-9,11H,2-5H2,1H3.
What are the key properties of 7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one?
7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one has a molecular weight of 197.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxopropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-6-one is sourced from PubChem (CID 121307899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).