3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane

C10H17NO — CID 126845440

IUPAC3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
SMILESCOCC=C1CC2CCC(C1)N2
InChIInChI=1S/C10H17NO/c1-12-5-4-8-6-9-2-3-10(7-8)11-9/h4,9-11H,2-3,5-7H2,1H3
InChIKeyNULXBWZMYUXZIF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds2

About 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane

3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane (PubChem CID 126845440) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
PubChem CID126845440
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
SMILESCOCC=C1CC2CCC(C1)N2
InChIInChI=1S/C10H17NO/c1-12-5-4-8-6-9-2-3-10(7-8)11-9/h4,9-11H,2-3,5-7H2,1H3
InChIKeyNULXBWZMYUXZIF-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
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

ethyl 2-[(3Z)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]acetate
CID 165894263
Ethyl 2-{8-azabicyclo[3.2.1]octan-3-ylidene}acetate
CID 58968325
3-(2-Cyclopropylmethoxyethylidene)-8-aza-bicyclo[3.2.1]octane
CID 68910424
ethyl 2-[(5S)-8-azabicyclo[3.2.1]octan-3-ylidene]acetate
CID 89343501
(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-Ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane
CID 123344165
3-(2-Methoxyethylidene)-9-azabicyclo[4.2.1]nonane
CID 123404148
2-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]piperidine
CID 103143071
2-[2-Methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine
CID 104855400
2-[2-(Oxolan-3-ylidene)propyl]piperidine
CID 104855404
2-(4-Methoxy-2,3-dimethylbut-2-enyl)piperidine
CID 104863212

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane (CID 126845440) is 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane is COCC=C1CC2CCC(C1)N2.
What is the InChIKey of 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
The InChIKey is NULXBWZMYUXZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-12-5-4-8-6-9-2-3-10(7-8)11-9/h4,9-11H,2-3,5-7H2,1H3.
What are the key properties of 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane has a molecular weight of 167.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 126845440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).