1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol

C8H15NO2 — CID 167731589

IUPAC1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol
SMILESOCC1CCC2(CCNC2)O1
InChIInChI=1S/C8H15NO2/c10-5-7-1-2-8(11-7)3-4-9-6-8/h7,9-10H,1-6H2
InChIKeyYPIDVXSCIQFTSE-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.11
Rot. Bonds1

About 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol

1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol (PubChem CID 167731589) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol.

Molecular Properties

Compound Name1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol
PubChem CID167731589
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol
SMILESOCC1CCC2(CCNC2)O1
InChIInChI=1S/C8H15NO2/c10-5-7-1-2-8(11-7)3-4-9-6-8/h7,9-10H,1-6H2
InChIKeyYPIDVXSCIQFTSE-UHFFFAOYSA-N
XLogP-0.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol?
The IUPAC name of 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol (CID 167731589) is 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol.
What is the SMILES notation for 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol?
The canonical SMILES for 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol is OCC1CCC2(CCNC2)O1.
What is the InChIKey of 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol?
The InChIKey is YPIDVXSCIQFTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-5-7-1-2-8(11-7)3-4-9-6-8/h7,9-10H,1-6H2.
What are the key properties of 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol?
1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol has a molecular weight of 157.21 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol is sourced from PubChem (CID 167731589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).