3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane

C12H21NO2 — CID 178012400

IUPAC3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCOCC1(CN2CC3CCC(C2)O3)CC1
InChIInChI=1S/C12H21NO2/c1-14-9-12(4-5-12)8-13-6-10-2-3-11(7-13)15-10/h10-11H,2-9H2,1H3
InChIKeyQZSLNRUTTMXEJF-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.28
Rot. Bonds4

About 3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 178012400) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID178012400
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCOCC1(CN2CC3CCC(C2)O3)CC1
InChIInChI=1S/C12H21NO2/c1-14-9-12(4-5-12)8-13-6-10-2-3-11(7-13)15-10/h10-11H,2-9H2,1H3
InChIKeyQZSLNRUTTMXEJF-UHFFFAOYSA-N
XLogP1.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 178012400) is 3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane is COCC1(CN2CC3CCC(C2)O3)CC1.
What is the InChIKey of 3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is QZSLNRUTTMXEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-14-9-12(4-5-12)8-13-6-10-2-3-11(7-13)15-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 211.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(methoxymethyl)cyclopropyl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 178012400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).