2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene

C9H15NO2 — CID 54128850

IUPAC2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene
SMILESCOCOC1C=C(C)CC2NC21
InChIInChI=1S/C9H15NO2/c1-6-3-7-9(10-7)8(4-6)12-5-11-2/h4,7-10H,3,5H2,1-2H3
InChIKeyNSWLMYKUQCWTLN-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.67
Rot. Bonds3

About 2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene

2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene (PubChem CID 54128850) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene
PubChem CID54128850
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene
SMILESCOCOC1C=C(C)CC2NC21
InChIInChI=1S/C9H15NO2/c1-6-3-7-9(10-7)8(4-6)12-5-11-2/h4,7-10H,3,5H2,1-2H3
InChIKeyNSWLMYKUQCWTLN-UHFFFAOYSA-N
XLogP0.67
TPSA40.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene?
The IUPAC name of 2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene (CID 54128850) is 2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene is COCOC1C=C(C)CC2NC21.
What is the InChIKey of 2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene?
The InChIKey is NSWLMYKUQCWTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-3-7-9(10-7)8(4-6)12-5-11-2/h4,7-10H,3,5H2,1-2H3.
What are the key properties of 2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene?
2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene has a molecular weight of 169.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-4-methyl-7-azabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 54128850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).