7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C12H21NO2 — CID 171953013

IUPAC7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(C2CCCC2)CC2COCC(C1)N2
InChIInChI=1S/C12H21NO2/c14-12(9-3-1-2-4-9)5-10-7-15-8-11(6-12)13-10/h9-11,13-14H,1-8H2
InChIKeyKETZUNUOGVCGBN-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.06
Rot. Bonds1

About 7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171953013) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171953013
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(C2CCCC2)CC2COCC(C1)N2
InChIInChI=1S/C12H21NO2/c14-12(9-3-1-2-4-9)5-10-7-15-8-11(6-12)13-10/h9-11,13-14H,1-8H2
InChIKeyKETZUNUOGVCGBN-UHFFFAOYSA-N
XLogP1.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171953013) is 7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(C2CCCC2)CC2COCC(C1)N2.
What is the InChIKey of 7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is KETZUNUOGVCGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(9-3-1-2-4-9)5-10-7-15-8-11(6-12)13-10/h9-11,13-14H,1-8H2.
What are the key properties of 7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 211.30 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171953013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).