1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol

C9H15NO2 — CID 102278696

IUPAC1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol
SMILESOCC1=NOC2(CCCCC2)C1
InChIInChI=1S/C9H15NO2/c11-7-8-6-9(12-10-8)4-2-1-3-5-9/h11H,1-7H2
InChIKeyGKYADNBEQNXHCV-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.46
Rot. Bonds1

About 1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol

1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol (PubChem CID 102278696) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol.

Molecular Properties

Compound Name1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol
PubChem CID102278696
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol
SMILESOCC1=NOC2(CCCCC2)C1
InChIInChI=1S/C9H15NO2/c11-7-8-6-9(12-10-8)4-2-1-3-5-9/h11H,1-7H2
InChIKeyGKYADNBEQNXHCV-UHFFFAOYSA-N
XLogP1.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol?
The IUPAC name of 1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol (CID 102278696) is 1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol.
What is the SMILES notation for 1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol?
The canonical SMILES for 1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol is OCC1=NOC2(CCCCC2)C1.
What is the InChIKey of 1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol?
The InChIKey is GKYADNBEQNXHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-7-8-6-9(12-10-8)4-2-1-3-5-9/h11H,1-7H2.
What are the key properties of 1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol?
1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol has a molecular weight of 169.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol is sourced from PubChem (CID 102278696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).