2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde

C7H9NO3 — CID 105430221

IUPAC2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde
SMILESO=CCN1OC2(CC2)CC1=O
InChIInChI=1S/C7H9NO3/c9-4-3-8-6(10)5-7(11-8)1-2-7/h4H,1-3,5H2
InChIKeyYZRPTDKAJCXEKR-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.12
Rot. Bonds2

About 2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde

2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde (PubChem CID 105430221) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde
PubChem CID105430221
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde
SMILESO=CCN1OC2(CC2)CC1=O
InChIInChI=1S/C7H9NO3/c9-4-3-8-6(10)5-7(11-8)1-2-7/h4H,1-3,5H2
InChIKeyYZRPTDKAJCXEKR-UHFFFAOYSA-N
XLogP-0.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
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-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde?
The IUPAC name of 2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde (CID 105430221) is 2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde.
What is the SMILES notation for 2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde?
The canonical SMILES for 2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde is O=CCN1OC2(CC2)CC1=O.
What is the InChIKey of 2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde?
The InChIKey is YZRPTDKAJCXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-4-3-8-6(10)5-7(11-8)1-2-7/h4H,1-3,5H2.
What are the key properties of 2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde?
2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde has a molecular weight of 155.15 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-oxa-5-azaspiro[2.4]heptan-5-yl)acetaldehyde is sourced from PubChem (CID 105430221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).