2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane

C6H11NO — CID 70331184

IUPAC2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane
SMILESCN1CC2CCC1O2
InChIInChI=1S/C6H11NO/c1-7-4-5-2-3-6(7)8-5/h5-6H,2-4H2,1H3
InChIKeySYWNWXIBGJQVDH-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.44
Rot. Bonds

About 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane

2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane (PubChem CID 70331184) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane
PubChem CID70331184
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane
SMILESCN1CC2CCC1O2
InChIInChI=1S/C6H11NO/c1-7-4-5-2-3-6(7)8-5/h5-6H,2-4H2,1H3
InChIKeySYWNWXIBGJQVDH-UHFFFAOYSA-N
XLogP0.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane 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 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane (CID 70331184) is 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane is CN1CC2CCC1O2.
What is the InChIKey of 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane?
The InChIKey is SYWNWXIBGJQVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-4-5-2-3-6(7)8-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane?
2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane has a molecular weight of 113.16 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 70331184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).