2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde

C12H19NO2 — CID 146163566

IUPAC2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde
SMILESO=CCC1CCCCC12CCCNC2=O
InChIInChI=1S/C12H19NO2/c14-9-5-10-4-1-2-6-12(10)7-3-8-13-11(12)15/h9-10H,1-8H2,(H,13,15)
InChIKeyVFEVMICSMRSZAD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.66
Rot. Bonds2

About 2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde

2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde (PubChem CID 146163566) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde
PubChem CID146163566
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde
SMILESO=CCC1CCCCC12CCCNC2=O
InChIInChI=1S/C12H19NO2/c14-9-5-10-4-1-2-6-12(10)7-3-8-13-11(12)15/h9-10H,1-8H2,(H,13,15)
InChIKeyVFEVMICSMRSZAD-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde?
The IUPAC name of 2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde (CID 146163566) is 2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde.
What is the SMILES notation for 2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde?
The canonical SMILES for 2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde is O=CCC1CCCCC12CCCNC2=O.
What is the InChIKey of 2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde?
The InChIKey is VFEVMICSMRSZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-9-5-10-4-1-2-6-12(10)7-3-8-13-11(12)15/h9-10H,1-8H2,(H,13,15).
What are the key properties of 2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde?
2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde has a molecular weight of 209.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-2-azaspiro[5.5]undecan-11-yl)acetaldehyde is sourced from PubChem (CID 146163566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).