2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane

C7H14N2O — CID 163573249

IUPAC2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane
SMILESCN1CCN(C)C2OC2C1
InChIInChI=1S/C7H14N2O/c1-8-3-4-9(2)7-6(5-8)10-7/h6-7H,3-5H2,1-2H3
InChIKeyGBFDYLHFSYLTOW-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.41
Rot. Bonds

About 2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane

2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane (PubChem CID 163573249) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane.

Molecular Properties

Compound Name2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane
PubChem CID163573249
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane
SMILESCN1CCN(C)C2OC2C1
InChIInChI=1S/C7H14N2O/c1-8-3-4-9(2)7-6(5-8)10-7/h6-7H,3-5H2,1-2H3
InChIKeyGBFDYLHFSYLTOW-UHFFFAOYSA-N
XLogP-0.41
TPSA19.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane?
The IUPAC name of 2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane (CID 163573249) is 2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane.
What is the SMILES notation for 2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane?
The canonical SMILES for 2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane is CN1CCN(C)C2OC2C1.
What is the InChIKey of 2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane?
The InChIKey is GBFDYLHFSYLTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-8-3-4-9(2)7-6(5-8)10-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane?
2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane has a molecular weight of 142.20 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane is sourced from PubChem (CID 163573249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).