2-oxa-8-azaspiro[4.5]decan-3-ylmethanol

C9H17NO2 — CID 57368663

IUPAC2-oxa-8-azaspiro[4.5]decan-3-ylmethanol
SMILESOCC1CC2(CCNCC2)CO1
InChIInChI=1S/C9H17NO2/c11-6-8-5-9(7-12-8)1-3-10-4-2-9/h8,10-11H,1-7H2
InChIKeyGHDGYXGAYAYPOG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds1

About 2-oxa-8-azaspiro[4.5]decan-3-ylmethanol

2-oxa-8-azaspiro[4.5]decan-3-ylmethanol (PubChem CID 57368663) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-oxa-8-azaspiro[4.5]decan-3-ylmethanol.

Molecular Properties

Compound Name2-oxa-8-azaspiro[4.5]decan-3-ylmethanol
PubChem CID57368663
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-oxa-8-azaspiro[4.5]decan-3-ylmethanol
SMILESOCC1CC2(CCNCC2)CO1
InChIInChI=1S/C9H17NO2/c11-6-8-5-9(7-12-8)1-3-10-4-2-9/h8,10-11H,1-7H2
InChIKeyGHDGYXGAYAYPOG-UHFFFAOYSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-8-azaspiro[4.5]decan-3-ylmethanol?
The IUPAC name of 2-oxa-8-azaspiro[4.5]decan-3-ylmethanol (CID 57368663) is 2-oxa-8-azaspiro[4.5]decan-3-ylmethanol.
What is the SMILES notation for 2-oxa-8-azaspiro[4.5]decan-3-ylmethanol?
The canonical SMILES for 2-oxa-8-azaspiro[4.5]decan-3-ylmethanol is OCC1CC2(CCNCC2)CO1.
What is the InChIKey of 2-oxa-8-azaspiro[4.5]decan-3-ylmethanol?
The InChIKey is GHDGYXGAYAYPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-6-8-5-9(7-12-8)1-3-10-4-2-9/h8,10-11H,1-7H2.
What are the key properties of 2-oxa-8-azaspiro[4.5]decan-3-ylmethanol?
2-oxa-8-azaspiro[4.5]decan-3-ylmethanol has a molecular weight of 171.24 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-8-azaspiro[4.5]decan-3-ylmethanol is sourced from PubChem (CID 57368663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).