3-morpholin-4-ylpyrrolidine-1-carbaldehyde

C9H16N2O2 — CID 64992847

IUPAC3-morpholin-4-ylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C9H16N2O2/c12-8-10-2-1-9(7-10)11-3-5-13-6-4-11/h8-9H,1-7H2
InChIKeyHTMDRHKQWRIWSN-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.45
Rot. Bonds2

About 3-morpholin-4-ylpyrrolidine-1-carbaldehyde

3-morpholin-4-ylpyrrolidine-1-carbaldehyde (PubChem CID 64992847) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-morpholin-4-ylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-morpholin-4-ylpyrrolidine-1-carbaldehyde
PubChem CID64992847
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-morpholin-4-ylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C9H16N2O2/c12-8-10-2-1-9(7-10)11-3-5-13-6-4-11/h8-9H,1-7H2
InChIKeyHTMDRHKQWRIWSN-UHFFFAOYSA-N
XLogP-0.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.45
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 3-morpholin-4-ylpyrrolidine-1-carbaldehyde?
The IUPAC name of 3-morpholin-4-ylpyrrolidine-1-carbaldehyde (CID 64992847) is 3-morpholin-4-ylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-morpholin-4-ylpyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-morpholin-4-ylpyrrolidine-1-carbaldehyde is O=CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-ylpyrrolidine-1-carbaldehyde?
The InChIKey is HTMDRHKQWRIWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-8-10-2-1-9(7-10)11-3-5-13-6-4-11/h8-9H,1-7H2.
What are the key properties of 3-morpholin-4-ylpyrrolidine-1-carbaldehyde?
3-morpholin-4-ylpyrrolidine-1-carbaldehyde has a molecular weight of 184.24 g/mol, XLogP of -0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 64992847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).