5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde

C10H14N2O — CID 175855570

IUPAC5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde
SMILESO=CN1C=C(C2CCCN2)C=CC1
InChIInChI=1S/C10H14N2O/c13-8-12-6-2-3-9(7-12)10-4-1-5-11-10/h2-3,7-8,10-11H,1,4-6H2
InChIKeyQWQULCRJMUDJDC-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.65
Rot. Bonds2

About 5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde

5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde (PubChem CID 175855570) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde
PubChem CID175855570
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde
SMILESO=CN1C=C(C2CCCN2)C=CC1
InChIInChI=1S/C10H14N2O/c13-8-12-6-2-3-9(7-12)10-4-1-5-11-10/h2-3,7-8,10-11H,1,4-6H2
InChIKeyQWQULCRJMUDJDC-UHFFFAOYSA-N
XLogP0.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.65
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 5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde?
The IUPAC name of 5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde (CID 175855570) is 5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde is O=CN1C=C(C2CCCN2)C=CC1.
What is the InChIKey of 5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde?
The InChIKey is QWQULCRJMUDJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-8-12-6-2-3-9(7-12)10-4-1-5-11-10/h2-3,7-8,10-11H,1,4-6H2.
What are the key properties of 5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde?
5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde has a molecular weight of 178.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 175855570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).