ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate

C13H19N3O3 — CID 114393819

IUPACethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
SMILESCCOC(=O)CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C13H19N3O3/c1-2-19-13(18)5-8-16-12(17)9-11(10-14-16)15-6-3-4-7-15/h9-10H,2-8H2,1H3
InChIKeyIMEVCASYRHSPFK-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.80
Rot. Bonds5

About ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate

ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate (PubChem CID 114393819) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
PubChem CID114393819
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
SMILESCCOC(=O)CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C13H19N3O3/c1-2-19-13(18)5-8-16-12(17)9-11(10-14-16)15-6-3-4-7-15/h9-10H,2-8H2,1H3
InChIKeyIMEVCASYRHSPFK-UHFFFAOYSA-N
XLogP0.80
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
The IUPAC name of ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate (CID 114393819) is ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate is CCOC(=O)CCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
The InChIKey is IMEVCASYRHSPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-19-13(18)5-8-16-12(17)9-11(10-14-16)15-6-3-4-7-15/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate has a molecular weight of 265.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate is sourced from PubChem (CID 114393819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).