2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde

C10H13N3O2 — CID 14969899

IUPAC2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde
SMILESCn1ncc(N2CCCC2)c(C=O)c1=O
InChIInChI=1S/C10H13N3O2/c1-12-10(15)8(7-14)9(6-11-12)13-4-2-3-5-13/h6-7H,2-5H2,1H3
InChIKeyVKXOORRWUGCDER-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.19
Rot. Bonds2

About 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde

2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde (PubChem CID 14969899) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde
PubChem CID14969899
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde
SMILESCn1ncc(N2CCCC2)c(C=O)c1=O
InChIInChI=1S/C10H13N3O2/c1-12-10(15)8(7-14)9(6-11-12)13-4-2-3-5-13/h6-7H,2-5H2,1H3
InChIKeyVKXOORRWUGCDER-UHFFFAOYSA-N
XLogP0.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde?
The IUPAC name of 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde (CID 14969899) is 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde.
What is the SMILES notation for 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde?
The canonical SMILES for 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde is Cn1ncc(N2CCCC2)c(C=O)c1=O.
What is the InChIKey of 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde?
The InChIKey is VKXOORRWUGCDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-10(15)8(7-14)9(6-11-12)13-4-2-3-5-13/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde?
2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde is sourced from PubChem (CID 14969899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).