1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one

C7H11NO2 — CID 170346594

IUPAC1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one
SMILESCC12CC(C)(C1)OC(=O)N2
InChIInChI=1S/C7H11NO2/c1-6-3-7(2,4-6)10-5(9)8-6/h3-4H2,1-2H3,(H,8,9)
InChIKeyDZNJOAVWESYMRZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.04
Rot. Bonds

About 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one

1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one (PubChem CID 170346594) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one
PubChem CID170346594
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one
SMILESCC12CC(C)(C1)OC(=O)N2
InChIInChI=1S/C7H11NO2/c1-6-3-7(2,4-6)10-5(9)8-6/h3-4H2,1-2H3,(H,8,9)
InChIKeyDZNJOAVWESYMRZ-UHFFFAOYSA-N
XLogP1.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one?
The IUPAC name of 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one (CID 170346594) is 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one.
What is the SMILES notation for 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one?
The canonical SMILES for 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one is CC12CC(C)(C1)OC(=O)N2.
What is the InChIKey of 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one?
The InChIKey is DZNJOAVWESYMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-3-7(2,4-6)10-5(9)8-6/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one?
1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one has a molecular weight of 141.17 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one is sourced from PubChem (CID 170346594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).