2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde

C8H13NO2 — CID 78156492

IUPAC2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde
SMILESCC1CC(=O)NC(CC=O)C1
InChIInChI=1S/C8H13NO2/c1-6-4-7(2-3-10)9-8(11)5-6/h3,6-7H,2,4-5H2,1H3,(H,9,11)
InChIKeyVKYBWCYWRFDOKK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.49
Rot. Bonds2

About 2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde

2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde (PubChem CID 78156492) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde
PubChem CID78156492
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde
SMILESCC1CC(=O)NC(CC=O)C1
InChIInChI=1S/C8H13NO2/c1-6-4-7(2-3-10)9-8(11)5-6/h3,6-7H,2,4-5H2,1H3,(H,9,11)
InChIKeyVKYBWCYWRFDOKK-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.49
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-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde?
The IUPAC name of 2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde (CID 78156492) is 2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde is CC1CC(=O)NC(CC=O)C1.
What is the InChIKey of 2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde?
The InChIKey is VKYBWCYWRFDOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-4-7(2-3-10)9-8(11)5-6/h3,6-7H,2,4-5H2,1H3,(H,9,11).
What are the key properties of 2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde?
2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde has a molecular weight of 155.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopiperidin-2-yl)acetaldehyde is sourced from PubChem (CID 78156492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).