ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate

C19H24N2O3 — CID 1471722

IUPACethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate
SMILESCCOC(=O)CN1N=C(/C=C/c2ccc(C(C)C)cc2)CCC1=O
InChIInChI=1S/C19H24N2O3/c1-4-24-19(23)13-21-18(22)12-11-17(20-21)10-7-15-5-8-16(9-6-15)14(2)3/h5-10,14H,4,11-13H2,1-3H3/b10-7+
InChIKeyRPCZSUIMRWATDL-JXMROGBWSA-N
MW328.41 g/mol
LogP3.36
Rot. Bonds6

About ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate

ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate (PubChem CID 1471722) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate
PubChem CID1471722
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate
SMILESCCOC(=O)CN1N=C(/C=C/c2ccc(C(C)C)cc2)CCC1=O
InChIInChI=1S/C19H24N2O3/c1-4-24-19(23)13-21-18(22)12-11-17(20-21)10-7-15-5-8-16(9-6-15)14(2)3/h5-10,14H,4,11-13H2,1-3H3/b10-7+
InChIKeyRPCZSUIMRWATDL-JXMROGBWSA-N
XLogP3.36
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate (CID 1471722) is ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate is CCOC(=O)CN1N=C(/C=C/c2ccc(C(C)C)cc2)CCC1=O.
What is the InChIKey of ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate?
The InChIKey is RPCZSUIMRWATDL-JXMROGBWSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-24-19(23)13-21-18(22)12-11-17(20-21)10-7-15-5-8-16(9-6-15)14(2)3/h5-10,14H,4,11-13H2,1-3H3/b10-7+.
What are the key properties of ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate?
ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate has a molecular weight of 328.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-oxo-3-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4,5-dihydropyridazin-1-yl]acetate is sourced from PubChem (CID 1471722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).