6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde

C14H20N2O — CID 83220002

IUPAC6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde
SMILESCCC1CCC(C)N1c1ncc(C=O)cc1C
InChIInChI=1S/C14H20N2O/c1-4-13-6-5-11(3)16(13)14-10(2)7-12(9-17)8-15-14/h7-9,11,13H,4-6H2,1-3H3
InChIKeyNCFURRIRWYRCFM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.97
Rot. Bonds3

About 6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde

6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde (PubChem CID 83220002) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde
PubChem CID83220002
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde
SMILESCCC1CCC(C)N1c1ncc(C=O)cc1C
InChIInChI=1S/C14H20N2O/c1-4-13-6-5-11(3)16(13)14-10(2)7-12(9-17)8-15-14/h7-9,11,13H,4-6H2,1-3H3
InChIKeyNCFURRIRWYRCFM-UHFFFAOYSA-N
XLogP2.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.97
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 6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde (CID 83220002) is 6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde is CCC1CCC(C)N1c1ncc(C=O)cc1C.
What is the InChIKey of 6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is NCFURRIRWYRCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-13-6-5-11(3)16(13)14-10(2)7-12(9-17)8-15-14/h7-9,11,13H,4-6H2,1-3H3.
What are the key properties of 6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde?
6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde has a molecular weight of 232.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 83220002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).