1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde

C10H16N2O3 — CID 62654793

IUPAC1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CC1CNC(=O)O1
InChIInChI=1S/C10H16N2O3/c13-7-8-3-1-2-4-12(8)6-9-5-11-10(14)15-9/h7-9H,1-6H2,(H,11,14)
InChIKeyVHEANSOXEDVAFE-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.15
Rot. Bonds3

About 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde

1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde (PubChem CID 62654793) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde
PubChem CID62654793
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CC1CNC(=O)O1
InChIInChI=1S/C10H16N2O3/c13-7-8-3-1-2-4-12(8)6-9-5-11-10(14)15-9/h7-9H,1-6H2,(H,11,14)
InChIKeyVHEANSOXEDVAFE-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde (CID 62654793) is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde is O=CC1CCCCN1CC1CNC(=O)O1.
What is the InChIKey of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde?
The InChIKey is VHEANSOXEDVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-7-8-3-1-2-4-12(8)6-9-5-11-10(14)15-9/h7-9H,1-6H2,(H,11,14).
What are the key properties of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde?
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde has a molecular weight of 212.25 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 62654793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).