2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde

C10H16N2O2 — CID 105450018

IUPAC2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde
SMILESO=CCN1NC2(CCCCC2)CC1=O
InChIInChI=1S/C10H16N2O2/c13-7-6-12-9(14)8-10(11-12)4-2-1-3-5-10/h7,11H,1-6,8H2
InChIKeyOIYFKBLHBTWNQU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.63
Rot. Bonds2

About 2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde

2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde (PubChem CID 105450018) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde
PubChem CID105450018
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde
SMILESO=CCN1NC2(CCCCC2)CC1=O
InChIInChI=1S/C10H16N2O2/c13-7-6-12-9(14)8-10(11-12)4-2-1-3-5-10/h7,11H,1-6,8H2
InChIKeyOIYFKBLHBTWNQU-UHFFFAOYSA-N
XLogP0.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.63
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 2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde?
The IUPAC name of 2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde (CID 105450018) is 2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde?
The canonical SMILES for 2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde is O=CCN1NC2(CCCCC2)CC1=O.
What is the InChIKey of 2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde?
The InChIKey is OIYFKBLHBTWNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-7-6-12-9(14)8-10(11-12)4-2-1-3-5-10/h7,11H,1-6,8H2.
What are the key properties of 2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde?
2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde has a molecular weight of 196.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde is sourced from PubChem (CID 105450018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).