2-(methoxymethylidene)-7-azaspiro[3.5]nonane

C10H17NO — CID 170727707

IUPAC2-(methoxymethylidene)-7-azaspiro[3.5]nonane
SMILESCOC=C1CC2(CCNCC2)C1
InChIInChI=1S/C10H17NO/c1-12-8-9-6-10(7-9)2-4-11-5-3-10/h8,11H,2-7H2,1H3
InChIKeyIIZYNVYKJJIBFV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.68
Rot. Bonds1

About 2-(methoxymethylidene)-7-azaspiro[3.5]nonane

2-(methoxymethylidene)-7-azaspiro[3.5]nonane (PubChem CID 170727707) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(methoxymethylidene)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(methoxymethylidene)-7-azaspiro[3.5]nonane
PubChem CID170727707
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(methoxymethylidene)-7-azaspiro[3.5]nonane
SMILESCOC=C1CC2(CCNCC2)C1
InChIInChI=1S/C10H17NO/c1-12-8-9-6-10(7-9)2-4-11-5-3-10/h8,11H,2-7H2,1H3
InChIKeyIIZYNVYKJJIBFV-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.68
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 2-(methoxymethylidene)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-(methoxymethylidene)-7-azaspiro[3.5]nonane (CID 170727707) is 2-(methoxymethylidene)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(methoxymethylidene)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-(methoxymethylidene)-7-azaspiro[3.5]nonane is COC=C1CC2(CCNCC2)C1.
What is the InChIKey of 2-(methoxymethylidene)-7-azaspiro[3.5]nonane?
The InChIKey is IIZYNVYKJJIBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-12-8-9-6-10(7-9)2-4-11-5-3-10/h8,11H,2-7H2,1H3.
What are the key properties of 2-(methoxymethylidene)-7-azaspiro[3.5]nonane?
2-(methoxymethylidene)-7-azaspiro[3.5]nonane has a molecular weight of 167.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylidene)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 170727707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).