7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene

C10H17NO — CID 156905591

IUPAC7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCOCC1=CC2CNCC(C1)C2
InChIInChI=1S/C10H17NO/c1-12-7-10-3-8-2-9(4-10)6-11-5-8/h3,8-9,11H,2,4-7H2,1H3
InChIKeyTVHSWGHGESAORB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.19
Rot. Bonds2

About 7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene

7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 156905591) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene
PubChem CID156905591
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCOCC1=CC2CNCC(C1)C2
InChIInChI=1S/C10H17NO/c1-12-7-10-3-8-2-9(4-10)6-11-5-8/h3,8-9,11H,2,4-7H2,1H3
InChIKeyTVHSWGHGESAORB-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene (CID 156905591) is 7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene is COCC1=CC2CNCC(C1)C2.
What is the InChIKey of 7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is TVHSWGHGESAORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-12-7-10-3-8-2-9(4-10)6-11-5-8/h3,8-9,11H,2,4-7H2,1H3.
What are the key properties of 7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene?
7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 167.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 156905591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).