1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde

C9H16N2O2 — CID 89465603

IUPAC1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde
SMILESO=CN1CCC2(CC1)CNCCO2
InChIInChI=1S/C9H16N2O2/c12-8-11-4-1-9(2-5-11)7-10-3-6-13-9/h8,10H,1-7H2
InChIKeyOQAHWTMKJTWALS-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.40
Rot. Bonds1

About 1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde

1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde (PubChem CID 89465603) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde.

Molecular Properties

Compound Name1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde
PubChem CID89465603
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde
SMILESO=CN1CCC2(CC1)CNCCO2
InChIInChI=1S/C9H16N2O2/c12-8-11-4-1-9(2-5-11)7-10-3-6-13-9/h8,10H,1-7H2
InChIKeyOQAHWTMKJTWALS-UHFFFAOYSA-N
XLogP-0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde?
The IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde (CID 89465603) is 1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde.
What is the SMILES notation for 1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde?
The canonical SMILES for 1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde is O=CN1CCC2(CC1)CNCCO2.
What is the InChIKey of 1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde?
The InChIKey is OQAHWTMKJTWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-8-11-4-1-9(2-5-11)7-10-3-6-13-9/h8,10H,1-7H2.
What are the key properties of 1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde?
1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde has a molecular weight of 184.24 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde is sourced from PubChem (CID 89465603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).