5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

C11H19NO2 — CID 169132061

IUPAC5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCOCC1(CN2CC3CC2CO3)CC1
InChIInChI=1S/C11H19NO2/c1-13-8-11(2-3-11)7-12-5-10-4-9(12)6-14-10/h9-10H,2-8H2,1H3
InChIKeyVINCSCGBQRPGED-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.89
Rot. Bonds4

About 5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 169132061) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID169132061
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCOCC1(CN2CC3CC2CO3)CC1
InChIInChI=1S/C11H19NO2/c1-13-8-11(2-3-11)7-12-5-10-4-9(12)6-14-10/h9-10H,2-8H2,1H3
InChIKeyVINCSCGBQRPGED-UHFFFAOYSA-N
XLogP0.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 169132061) is 5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is COCC1(CN2CC3CC2CO3)CC1.
What is the InChIKey of 5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is VINCSCGBQRPGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-13-8-11(2-3-11)7-12-5-10-4-9(12)6-14-10/h9-10H,2-8H2,1H3.
What are the key properties of 5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 197.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 169132061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).