1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol

C6H11NO2 — CID 129208532

IUPAC1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol
SMILESOCC1CCC2(CO2)N1
InChIInChI=1S/C6H11NO2/c8-3-5-1-2-6(7-5)4-9-6/h5,7-8H,1-4H2
InChIKeySRDDPCXMAHEMMH-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.54
Rot. Bonds1

About 1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol

1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol (PubChem CID 129208532) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol.

Molecular Properties

Compound Name1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol
PubChem CID129208532
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol
SMILESOCC1CCC2(CO2)N1
InChIInChI=1S/C6H11NO2/c8-3-5-1-2-6(7-5)4-9-6/h5,7-8H,1-4H2
InChIKeySRDDPCXMAHEMMH-UHFFFAOYSA-N
XLogP-0.54
TPSA44.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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(9-hex-5-enyl-1-oxa-4-azaspiro[4.4]nonan-3-yl)methanol
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(5,5-difluoro-6-methyloxan-2-yl)methanol
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5,8-dioxaspiro[3.5]nonan-7-ylmethanol
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Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol?
The IUPAC name of 1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol (CID 129208532) is 1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol.
What is the SMILES notation for 1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol?
The canonical SMILES for 1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol is OCC1CCC2(CO2)N1.
What is the InChIKey of 1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol?
The InChIKey is SRDDPCXMAHEMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-3-5-1-2-6(7-5)4-9-6/h5,7-8H,1-4H2.
What are the key properties of 1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol?
1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol has a molecular weight of 129.16 g/mol, XLogP of -0.54, 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[2.4]heptan-6-ylmethanol is sourced from PubChem (CID 129208532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).