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

C16H18N2O3 — CID 1472207

IUPACethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate
SMILESCCOC(=O)CN1N=C(/C=C/c2ccccc2)CCC1=O
InChIInChI=1S/C16H18N2O3/c1-2-21-16(20)12-18-15(19)11-10-14(17-18)9-8-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3/b9-8+
InChIKeyVTNLYPOKKISRJJ-CMDGGOBGSA-N
MW286.33 g/mol
LogP2.24
Rot. Bonds5

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

ethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate (PubChem CID 1472207) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate
PubChem CID1472207
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate
SMILESCCOC(=O)CN1N=C(/C=C/c2ccccc2)CCC1=O
InChIInChI=1S/C16H18N2O3/c1-2-21-16(20)12-18-15(19)11-10-14(17-18)9-8-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3/b9-8+
InChIKeyVTNLYPOKKISRJJ-CMDGGOBGSA-N
XLogP2.24
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl [3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetate
CID 12270236
ethyl [3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetate
CID 6624390
Ethyl (3-(4-methylphenyl)-6-oxo-1(6H)-pyridazinyl)acetate
CID 3245279
ethyl (6-oxo-3-phenylpyridazin-1(6H)-yl)acetate
CID 3240850
[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetic acid
CID 20967419
2-allyl-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475372
ethyl 2-[3-[(E)-2-(4-methylphenyl)ethenyl]-6-oxo-5,6-dihydro-1(4H)-pyridazinyl]propanoate
CID 5707074
Ethyl 2-(6-oxo-3-styryl-1(6H)-pyridazinyl)acetate
CID 5707078
ethyl 2-[3-(4-methylstyryl)-6-oxo-1(6H)-pyridazinyl]acetate
CID 5707544
Ethyl 2-(3-(4-isopropylstyryl)-6-oxo-1(6H)-pyridazinyl)acetate
CID 5707557
N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 24761518
ethyl 2-[3-(4-isopropylstyryl)-6-oxo-5,6-dihydro-1(4H)-pyridazinyl]acetate
CID 1471722

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate (CID 1472207) is ethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate is CCOC(=O)CN1N=C(/C=C/c2ccccc2)CCC1=O.
What is the InChIKey of ethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate?
The InChIKey is VTNLYPOKKISRJJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-21-16(20)12-18-15(19)11-10-14(17-18)9-8-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3/b9-8+.
What are the key properties of ethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate?
ethyl 2-[6-oxo-3-[(E)-2-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate has a molecular weight of 286.33 g/mol, XLogP of 2.24, 5 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-phenylethenyl]-4,5-dihydropyridazin-1-yl]acetate is sourced from PubChem (CID 1472207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).