2-oxo-2-piperidin-3-ylacetaldehyde

C7H11NO2 — CID 115011398

IUPAC2-oxo-2-piperidin-3-ylacetaldehyde
SMILESO=CC(=O)C1CCCNC1
InChIInChI=1S/C7H11NO2/c9-5-7(10)6-2-1-3-8-4-6/h5-6,8H,1-4H2
InChIKeyCZJUJLDAZNBJCT-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.25
Rot. Bonds2

About 2-oxo-2-piperidin-3-ylacetaldehyde

2-oxo-2-piperidin-3-ylacetaldehyde (PubChem CID 115011398) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-oxo-2-piperidin-3-ylacetaldehyde.

Molecular Properties

Compound Name2-oxo-2-piperidin-3-ylacetaldehyde
PubChem CID115011398
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-oxo-2-piperidin-3-ylacetaldehyde
SMILESO=CC(=O)C1CCCNC1
InChIInChI=1S/C7H11NO2/c9-5-7(10)6-2-1-3-8-4-6/h5-6,8H,1-4H2
InChIKeyCZJUJLDAZNBJCT-UHFFFAOYSA-N
XLogP-0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-piperidin-3-ylacetaldehyde?
The IUPAC name of 2-oxo-2-piperidin-3-ylacetaldehyde (CID 115011398) is 2-oxo-2-piperidin-3-ylacetaldehyde.
What is the SMILES notation for 2-oxo-2-piperidin-3-ylacetaldehyde?
The canonical SMILES for 2-oxo-2-piperidin-3-ylacetaldehyde is O=CC(=O)C1CCCNC1.
What is the InChIKey of 2-oxo-2-piperidin-3-ylacetaldehyde?
The InChIKey is CZJUJLDAZNBJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-5-7(10)6-2-1-3-8-4-6/h5-6,8H,1-4H2.
What are the key properties of 2-oxo-2-piperidin-3-ylacetaldehyde?
2-oxo-2-piperidin-3-ylacetaldehyde has a molecular weight of 141.17 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-piperidin-3-ylacetaldehyde is sourced from PubChem (CID 115011398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).