(3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde

C9H11N3O — CID 172705652

IUPAC(3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde
SMILESO=C[C@@H]1CCN(c2ccnnc2)C1
InChIInChI=1S/C9H11N3O/c13-7-8-2-4-12(6-8)9-1-3-10-11-5-9/h1,3,5,7-8H,2,4,6H2/t8-/m1/s1
InChIKeyDNWPTZLKDTUWKZ-MRVPVSSYSA-N
MW177.21 g/mol
LogP0.50
Rot. Bonds2

About (3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde

(3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde (PubChem CID 172705652) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde
PubChem CID172705652
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde
SMILESO=C[C@@H]1CCN(c2ccnnc2)C1
InChIInChI=1S/C9H11N3O/c13-7-8-2-4-12(6-8)9-1-3-10-11-5-9/h1,3,5,7-8H,2,4,6H2/t8-/m1/s1
InChIKeyDNWPTZLKDTUWKZ-MRVPVSSYSA-N
XLogP0.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde?
The IUPAC name of (3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde (CID 172705652) is (3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde.
What is the SMILES notation for (3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde?
The canonical SMILES for (3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde is O=C[C@@H]1CCN(c2ccnnc2)C1.
What is the InChIKey of (3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde?
The InChIKey is DNWPTZLKDTUWKZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-7-8-2-4-12(6-8)9-1-3-10-11-5-9/h1,3,5,7-8H,2,4,6H2/t8-/m1/s1.
What are the key properties of (3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde?
(3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde has a molecular weight of 177.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde is sourced from PubChem (CID 172705652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).