[1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol

C11H19NO2 — CID 177326111

IUPAC[1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2C[C@H]3CC[C@@H](C2)O3)CC1
InChIInChI=1S/C11H19NO2/c13-8-11(3-4-11)7-12-5-9-1-2-10(6-12)14-9/h9-10,13H,1-8H2/t9-,10+
InChIKeyAOMAFBMHHROVRD-AOOOYVTPSA-N
MW197.28 g/mol
LogP0.62
Rot. Bonds3

About [1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol

[1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol (PubChem CID 177326111) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol
PubChem CID177326111
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2C[C@H]3CC[C@@H](C2)O3)CC1
InChIInChI=1S/C11H19NO2/c13-8-11(3-4-11)7-12-5-9-1-2-10(6-12)14-9/h9-10,13H,1-8H2/t9-,10+
InChIKeyAOMAFBMHHROVRD-AOOOYVTPSA-N
XLogP0.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol (CID 177326111) is [1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol is OCC1(CN2C[C@H]3CC[C@@H](C2)O3)CC1.
What is the InChIKey of [1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol?
The InChIKey is AOMAFBMHHROVRD-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H19NO2/c13-8-11(3-4-11)7-12-5-9-1-2-10(6-12)14-9/h9-10,13H,1-8H2/t9-,10+.
What are the key properties of [1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol?
[1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol has a molecular weight of 197.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 177326111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).