ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate

C15H23N3O3 — CID 30956733

IUPACethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate
SMILESCCC[C@H](C(=O)OCC)n1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H23N3O3/c1-3-7-13(15(20)21-4-2)18-14(19)10-12(11-16-18)17-8-5-6-9-17/h10-11,13H,3-9H2,1-2H3/t13-/m1/s1
InChIKeyHYFUAMAPFHDBCL-CYBMUJFWSA-N
MW293.37 g/mol
LogP1.75
Rot. Bonds6

About ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate

ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate (PubChem CID 30956733) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate
PubChem CID30956733
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate
SMILESCCC[C@H](C(=O)OCC)n1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H23N3O3/c1-3-7-13(15(20)21-4-2)18-14(19)10-12(11-16-18)17-8-5-6-9-17/h10-11,13H,3-9H2,1-2H3/t13-/m1/s1
InChIKeyHYFUAMAPFHDBCL-CYBMUJFWSA-N
XLogP1.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate?
The IUPAC name of ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate (CID 30956733) is ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate.
What is the SMILES notation for ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate?
The canonical SMILES for ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate is CCC[C@H](C(=O)OCC)n1ncc(N2CCCC2)cc1=O.
What is the InChIKey of ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate?
The InChIKey is HYFUAMAPFHDBCL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-7-13(15(20)21-4-2)18-14(19)10-12(11-16-18)17-8-5-6-9-17/h10-11,13H,3-9H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate?
ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate has a molecular weight of 293.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate is sourced from PubChem (CID 30956733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).