1-oxa-7-azaspiro[4.4]nonan-3-ol

C7H13NO2 — CID 90204447

IUPAC1-oxa-7-azaspiro[4.4]nonan-3-ol
SMILESOC1COC2(CCNC2)C1
InChIInChI=1S/C7H13NO2/c9-6-3-7(10-4-6)1-2-8-5-7/h6,8-9H,1-5H2
InChIKeyQPMVKECMMBYVGU-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.50
Rot. Bonds

About 1-oxa-7-azaspiro[4.4]nonan-3-ol

1-oxa-7-azaspiro[4.4]nonan-3-ol (PubChem CID 90204447) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-oxa-7-azaspiro[4.4]nonan-3-ol.

Molecular Properties

Compound Name1-oxa-7-azaspiro[4.4]nonan-3-ol
PubChem CID90204447
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-oxa-7-azaspiro[4.4]nonan-3-ol
SMILESOC1COC2(CCNC2)C1
InChIInChI=1S/C7H13NO2/c9-6-3-7(10-4-6)1-2-8-5-7/h6,8-9H,1-5H2
InChIKeyQPMVKECMMBYVGU-UHFFFAOYSA-N
XLogP-0.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.50
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-3-ol?
The IUPAC name of 1-oxa-7-azaspiro[4.4]nonan-3-ol (CID 90204447) is 1-oxa-7-azaspiro[4.4]nonan-3-ol.
What is the SMILES notation for 1-oxa-7-azaspiro[4.4]nonan-3-ol?
The canonical SMILES for 1-oxa-7-azaspiro[4.4]nonan-3-ol is OC1COC2(CCNC2)C1.
What is the InChIKey of 1-oxa-7-azaspiro[4.4]nonan-3-ol?
The InChIKey is QPMVKECMMBYVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-6-3-7(10-4-6)1-2-8-5-7/h6,8-9H,1-5H2.
What are the key properties of 1-oxa-7-azaspiro[4.4]nonan-3-ol?
1-oxa-7-azaspiro[4.4]nonan-3-ol has a molecular weight of 143.19 g/mol, XLogP of -0.50, 0 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-3-ol is sourced from PubChem (CID 90204447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).