3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one

C7H12N2O2 — CID 89353026

IUPAC3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one
SMILESCN1CC2CNCC(O2)C1=O
InChIInChI=1S/C7H12N2O2/c1-9-4-5-2-8-3-6(11-5)7(9)10/h5-6,8H,2-4H2,1H3
InChIKeyXVUOBTSHSISYMG-UHFFFAOYSA-N
MW156.18 g/mol
LogP-1.18
Rot. Bonds

About 3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one

3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one (PubChem CID 89353026) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one.

Molecular Properties

Compound Name3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one
PubChem CID89353026
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one
SMILESCN1CC2CNCC(O2)C1=O
InChIInChI=1S/C7H12N2O2/c1-9-4-5-2-8-3-6(11-5)7(9)10/h5-6,8H,2-4H2,1H3
InChIKeyXVUOBTSHSISYMG-UHFFFAOYSA-N
XLogP-1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one?
The IUPAC name of 3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one (CID 89353026) is 3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one.
What is the SMILES notation for 3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one?
The canonical SMILES for 3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one is CN1CC2CNCC(O2)C1=O.
What is the InChIKey of 3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one?
The InChIKey is XVUOBTSHSISYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-9-4-5-2-8-3-6(11-5)7(9)10/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one?
3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one has a molecular weight of 156.18 g/mol, XLogP of -1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-2-one is sourced from PubChem (CID 89353026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).