2-pyridin-3-ylpyrrolidine-1-carbaldehyde

C10H12N2O — CID 528369

IUPAC2-pyridin-3-ylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1c1cccnc1
InChIInChI=1S/C10H12N2O/c13-8-12-6-2-4-10(12)9-3-1-5-11-7-9/h1,3,5,7-8,10H,2,4,6H2
InChIKeyGQLSEYOOXBRDFZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.37
Rot. Bonds2

About 2-pyridin-3-ylpyrrolidine-1-carbaldehyde

2-pyridin-3-ylpyrrolidine-1-carbaldehyde (PubChem CID 528369) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-pyridin-3-ylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-3-ylpyrrolidine-1-carbaldehyde
PubChem CID528369
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-pyridin-3-ylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1c1cccnc1
InChIInChI=1S/C10H12N2O/c13-8-12-6-2-4-10(12)9-3-1-5-11-7-9/h1,3,5,7-8,10H,2,4,6H2
InChIKeyGQLSEYOOXBRDFZ-UHFFFAOYSA-N
XLogP1.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.37
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 2-pyridin-3-ylpyrrolidine-1-carbaldehyde?
The IUPAC name of 2-pyridin-3-ylpyrrolidine-1-carbaldehyde (CID 528369) is 2-pyridin-3-ylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-pyridin-3-ylpyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-pyridin-3-ylpyrrolidine-1-carbaldehyde is O=CN1CCCC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-ylpyrrolidine-1-carbaldehyde?
The InChIKey is GQLSEYOOXBRDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-8-12-6-2-4-10(12)9-3-1-5-11-7-9/h1,3,5,7-8,10H,2,4,6H2.
What are the key properties of 2-pyridin-3-ylpyrrolidine-1-carbaldehyde?
2-pyridin-3-ylpyrrolidine-1-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 528369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).