1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde

C10H19NO — CID 59745295

IUPAC1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde
SMILESCN1C(C)(C)CC(C=O)C1(C)C
InChIInChI=1S/C10H19NO/c1-9(2)6-8(7-12)10(3,4)11(9)5/h7-8H,6H2,1-5H3
InChIKeyAANMOYIBUQARRC-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.69
Rot. Bonds1

About 1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde

1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde (PubChem CID 59745295) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde
PubChem CID59745295
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde
SMILESCN1C(C)(C)CC(C=O)C1(C)C
InChIInChI=1S/C10H19NO/c1-9(2)6-8(7-12)10(3,4)11(9)5/h7-8H,6H2,1-5H3
InChIKeyAANMOYIBUQARRC-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
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 1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde?
The IUPAC name of 1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde (CID 59745295) is 1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde?
The canonical SMILES for 1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde is CN1C(C)(C)CC(C=O)C1(C)C.
What is the InChIKey of 1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde?
The InChIKey is AANMOYIBUQARRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)6-8(7-12)10(3,4)11(9)5/h7-8H,6H2,1-5H3.
What are the key properties of 1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde?
1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,5,5-pentamethylpyrrolidine-3-carbaldehyde is sourced from PubChem (CID 59745295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).