2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol

C7H13NO3 — CID 139343385

IUPAC2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol
SMILESOCC1CNCC2(COC2)O1
InChIInChI=1S/C7H13NO3/c9-2-6-1-8-3-7(11-6)4-10-5-7/h6,8-9H,1-5H2
InChIKeyBTRQGJGGAYKPFW-UHFFFAOYSA-N
MW159.18 g/mol
LogP-1.26
Rot. Bonds1

About 2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol

2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol (PubChem CID 139343385) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol.

Molecular Properties

Compound Name2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol
PubChem CID139343385
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol
SMILESOCC1CNCC2(COC2)O1
InChIInChI=1S/C7H13NO3/c9-2-6-1-8-3-7(11-6)4-10-5-7/h6,8-9H,1-5H2
InChIKeyBTRQGJGGAYKPFW-UHFFFAOYSA-N
XLogP-1.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol?
The IUPAC name of 2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol (CID 139343385) is 2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol.
What is the SMILES notation for 2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol?
The canonical SMILES for 2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol is OCC1CNCC2(COC2)O1.
What is the InChIKey of 2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol?
The InChIKey is BTRQGJGGAYKPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-2-6-1-8-3-7(11-6)4-10-5-7/h6,8-9H,1-5H2.
What are the key properties of 2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol?
2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol has a molecular weight of 159.18 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol is sourced from PubChem (CID 139343385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).