3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane

C11H19NO — CID 123404148

IUPAC3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane
SMILESCOCC=C1CCC2CCC(C1)N2
InChIInChI=1S/C11H19NO/c1-13-7-6-9-2-3-10-4-5-11(8-9)12-10/h6,10-12H,2-5,7-8H2,1H3
InChIKeyVICMPMJVULSCDJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds2

About 3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane

3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane (PubChem CID 123404148) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane
PubChem CID123404148
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane
SMILESCOCC=C1CCC2CCC(C1)N2
InChIInChI=1S/C11H19NO/c1-13-7-6-9-2-3-10-4-5-11(8-9)12-10/h6,10-12H,2-5,7-8H2,1H3
InChIKeyVICMPMJVULSCDJ-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 118871700
(5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 118881760
3-(2-Methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 126845440
(4E)-4-(2-methoxyethylidene)azepane
CID 115012104
3-(2-Methoxyethylidene)-8-azabicyclo[3.2.1]octane hydrochloride
CID 126845439
(4Z)-4-(2-methoxyethylidene)azepane
CID 126845442

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane?
The IUPAC name of 3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane (CID 123404148) is 3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane is COCC=C1CCC2CCC(C1)N2.
What is the InChIKey of 3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane?
The InChIKey is VICMPMJVULSCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-13-7-6-9-2-3-10-4-5-11(8-9)12-10/h6,10-12H,2-5,7-8H2,1H3.
What are the key properties of 3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane?
3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane has a molecular weight of 181.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylidene)-9-azabicyclo[4.2.1]nonane is sourced from PubChem (CID 123404148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).