6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol

C6H11NO3 — CID 154049521

IUPAC6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol
SMILESOCC12CNCC(OC1)O2
InChIInChI=1S/C6H11NO3/c8-3-6-2-7-1-5(10-6)9-4-6/h5,7-8H,1-4H2
InChIKeyYROVXQFBDOYLTE-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.31
Rot. Bonds1

About 6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol

6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol (PubChem CID 154049521) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol.

Molecular Properties

Compound Name6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol
PubChem CID154049521
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol
SMILESOCC12CNCC(OC1)O2
InChIInChI=1S/C6H11NO3/c8-3-6-2-7-1-5(10-6)9-4-6/h5,7-8H,1-4H2
InChIKeyYROVXQFBDOYLTE-UHFFFAOYSA-N
XLogP-1.31
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol?
The IUPAC name of 6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol (CID 154049521) is 6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol.
What is the SMILES notation for 6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol?
The canonical SMILES for 6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol is OCC12CNCC(OC1)O2.
What is the InChIKey of 6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol?
The InChIKey is YROVXQFBDOYLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-3-6-2-7-1-5(10-6)9-4-6/h5,7-8H,1-4H2.
What are the key properties of 6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol?
6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol has a molecular weight of 145.16 g/mol, XLogP of -1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol is sourced from PubChem (CID 154049521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).