6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane

C8H13NO — CID 177162721

IUPAC6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane
SMILESCOC=C1C2CNCC1C2
InChIInChI=1S/C8H13NO/c1-10-5-8-6-2-7(8)4-9-3-6/h5-7,9H,2-4H2,1H3
InChIKeyXHRPWUATUABIAG-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.76
Rot. Bonds1

About 6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane

6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane (PubChem CID 177162721) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane
PubChem CID177162721
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane
SMILESCOC=C1C2CNCC1C2
InChIInChI=1S/C8H13NO/c1-10-5-8-6-2-7(8)4-9-3-6/h5-7,9H,2-4H2,1H3
InChIKeyXHRPWUATUABIAG-UHFFFAOYSA-N
XLogP0.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane (CID 177162721) is 6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane is COC=C1C2CNCC1C2.
What is the InChIKey of 6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane?
The InChIKey is XHRPWUATUABIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-5-8-6-2-7(8)4-9-3-6/h5-7,9H,2-4H2,1H3.
What are the key properties of 6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane?
6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane has a molecular weight of 139.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethylidene)-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 177162721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).