2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde

C10H13N3O2 — CID 114396006

IUPAC2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde
SMILESO=CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C10H13N3O2/c14-6-5-13-10(15)7-9(8-11-13)12-3-1-2-4-12/h6-8H,1-5H2
InChIKeyFHOKIQCPUCHRAR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.04
Rot. Bonds3

About 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde

2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde (PubChem CID 114396006) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde
PubChem CID114396006
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde
SMILESO=CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C10H13N3O2/c14-6-5-13-10(15)7-9(8-11-13)12-3-1-2-4-12/h6-8H,1-5H2
InChIKeyFHOKIQCPUCHRAR-UHFFFAOYSA-N
XLogP0.04
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde?
The IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde (CID 114396006) is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde is O=CCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde?
The InChIKey is FHOKIQCPUCHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-6-5-13-10(15)7-9(8-11-13)12-3-1-2-4-12/h6-8H,1-5H2.
What are the key properties of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde?
2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde is sourced from PubChem (CID 114396006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).