3-hydroxy-3-methylpyrrolidine-1-carbaldehyde

C6H11NO2 — CID 103357524

IUPAC3-hydroxy-3-methylpyrrolidine-1-carbaldehyde
SMILESCC1(O)CCN(C=O)C1
InChIInChI=1S/C6H11NO2/c1-6(9)2-3-7(4-6)5-8/h5,9H,2-4H2,1H3
InChIKeyKPQKMOIIDWNTMN-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.40
Rot. Bonds1

About 3-hydroxy-3-methylpyrrolidine-1-carbaldehyde

3-hydroxy-3-methylpyrrolidine-1-carbaldehyde (PubChem CID 103357524) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-hydroxy-3-methylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-3-methylpyrrolidine-1-carbaldehyde
PubChem CID103357524
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-hydroxy-3-methylpyrrolidine-1-carbaldehyde
SMILESCC1(O)CCN(C=O)C1
InChIInChI=1S/C6H11NO2/c1-6(9)2-3-7(4-6)5-8/h5,9H,2-4H2,1H3
InChIKeyKPQKMOIIDWNTMN-UHFFFAOYSA-N
XLogP-0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.40
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 3-hydroxy-3-methylpyrrolidine-1-carbaldehyde?
The IUPAC name of 3-hydroxy-3-methylpyrrolidine-1-carbaldehyde (CID 103357524) is 3-hydroxy-3-methylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-hydroxy-3-methylpyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-hydroxy-3-methylpyrrolidine-1-carbaldehyde is CC1(O)CCN(C=O)C1.
What is the InChIKey of 3-hydroxy-3-methylpyrrolidine-1-carbaldehyde?
The InChIKey is KPQKMOIIDWNTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(9)2-3-7(4-6)5-8/h5,9H,2-4H2,1H3.
What are the key properties of 3-hydroxy-3-methylpyrrolidine-1-carbaldehyde?
3-hydroxy-3-methylpyrrolidine-1-carbaldehyde has a molecular weight of 129.16 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 103357524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).