ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate

C17H22N2O3 — CID 6624357

IUPACethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate
SMILESCCOC(=O)CCN1N=C(c2ccc(CC)cc2)CCC1=O
InChIInChI=1S/C17H22N2O3/c1-3-13-5-7-14(8-6-13)15-9-10-16(20)19(18-15)12-11-17(21)22-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyHVPKDIJODUTRRI-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.53
Rot. Bonds6

About ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate

ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate (PubChem CID 6624357) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate
PubChem CID6624357
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate
SMILESCCOC(=O)CCN1N=C(c2ccc(CC)cc2)CCC1=O
InChIInChI=1S/C17H22N2O3/c1-3-13-5-7-14(8-6-13)15-9-10-16(20)19(18-15)12-11-17(21)22-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyHVPKDIJODUTRRI-UHFFFAOYSA-N
XLogP2.53
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate?
The IUPAC name of ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate (CID 6624357) is ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate is CCOC(=O)CCN1N=C(c2ccc(CC)cc2)CCC1=O.
What is the InChIKey of ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate?
The InChIKey is HVPKDIJODUTRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-13-5-7-14(8-6-13)15-9-10-16(20)19(18-15)12-11-17(21)22-4-2/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate?
ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate has a molecular weight of 302.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanoate is sourced from PubChem (CID 6624357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).