methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate

C15H14N2O3 — CID 24750052

IUPACmethyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(=O)n(C)nc1-c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-17-13(18)10-12(8-9-14(19)20-2)15(16-17)11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyLRROWZXPKSRCPA-CMDGGOBGSA-N
MW270.29 g/mol
LogP1.63
Rot. Bonds3

About methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate

methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate (PubChem CID 24750052) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate
PubChem CID24750052
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(=O)n(C)nc1-c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-17-13(18)10-12(8-9-14(19)20-2)15(16-17)11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyLRROWZXPKSRCPA-CMDGGOBGSA-N
XLogP1.63
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (6-oxo-3-phenylpyridazin-1(6H)-yl)acetate
CID 3240850
Methyl 2-methyl-3-oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carboxylate
CID 4914841
methyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate
CID 24772272
3(2H)-Pyridazinone, 2-(hydroxymethyl)-6-phenyl-
CID 208759
2-methyl-6-styryl-3(2H)-pyridazinone
CID 5707075
ethyl (E)-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate
CID 11065499
(E)-3-[1-(methoxymethyl)-6-oxo-3-phenylpyridazin-4-yl]prop-2-enenitrile
CID 11369152
ethyl (E)-3-[1-(methoxymethyl)-6-oxo-3-phenylpyridazin-4-yl]prop-2-enoate
CID 11427001
Propyl 2-methyl-3-oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carboxylate
CID 16014564
Dimethyl 2-[(1-methyl-6-oxo-3-phenylpyridazin-4-yl)methylidene]propanedioate
CID 24749813
ethyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate
CID 24750051
ethyl (E)-2-methyl-3-(6-oxo-3-phenyl-1H-pyridazin-4-yl)prop-2-enoate
CID 24750170

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate (CID 24750052) is methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate is COC(=O)/C=C/c1cc(=O)n(C)nc1-c1ccccc1.
What is the InChIKey of methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate?
The InChIKey is LRROWZXPKSRCPA-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17-13(18)10-12(8-9-14(19)20-2)15(16-17)11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+.
What are the key properties of methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate?
methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate has a molecular weight of 270.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate is sourced from PubChem (CID 24750052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).