7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C11H19NO4 — CID 171951927

IUPAC7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(CC2OCCO2)CC2COCC(C1)N2
InChIInChI=1S/C11H19NO4/c13-11(5-10-15-1-2-16-10)3-8-6-14-7-9(4-11)12-8/h8-10,12-13H,1-7H2
InChIKeyGZMJRTIKKYTHSS-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.37
Rot. Bonds2

About 7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171951927) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171951927
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(CC2OCCO2)CC2COCC(C1)N2
InChIInChI=1S/C11H19NO4/c13-11(5-10-15-1-2-16-10)3-8-6-14-7-9(4-11)12-8/h8-10,12-13H,1-7H2
InChIKeyGZMJRTIKKYTHSS-UHFFFAOYSA-N
XLogP-0.37
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171951927) is 7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(CC2OCCO2)CC2COCC(C1)N2.
What is the InChIKey of 7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is GZMJRTIKKYTHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-11(5-10-15-1-2-16-10)3-8-6-14-7-9(4-11)12-8/h8-10,12-13H,1-7H2.
What are the key properties of 7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 229.28 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171951927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).