methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate

C15H15NO4 — CID 3480313

IUPACmethyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate
SMILESC=C1NC(=Cc2ccc(OC)cc2)C(=O)C1C(=O)OC
InChIInChI=1S/C15H15NO4/c1-9-13(15(18)20-3)14(17)12(16-9)8-10-4-6-11(19-2)7-5-10/h4-8,13,16H,1H2,2-3H3
InChIKeyFZXYTJYCSKNCNX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.51
Rot. Bonds3

About methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate

methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate (PubChem CID 3480313) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate
PubChem CID3480313
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate
SMILESC=C1NC(=Cc2ccc(OC)cc2)C(=O)C1C(=O)OC
InChIInChI=1S/C15H15NO4/c1-9-13(15(18)20-3)14(17)12(16-9)8-10-4-6-11(19-2)7-5-10/h4-8,13,16H,1H2,2-3H3
InChIKeyFZXYTJYCSKNCNX-UHFFFAOYSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methylidene-5-[(4-nitrophenyl)methylidene]-4-oxopyrrolidine-3-carboxylate
CID 5084637
3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 2882053
methyl 4-(4-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 4574997
(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione
CID 905014
5-[(4-methoxyphenyl)methylidene]-3-(2-oxopropyl)imidazolidine-2,4-dione
CID 139624764
4-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-5-one
CID 131888638
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
CID 171479616
(5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
CID 54704540
2-[4-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid
CID 5350434
(2S)-2-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]propanoic acid
CID 963234
3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione
CID 67614037

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate (CID 3480313) is methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate is C=C1NC(=Cc2ccc(OC)cc2)C(=O)C1C(=O)OC.
What is the InChIKey of methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate?
The InChIKey is FZXYTJYCSKNCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-13(15(18)20-3)14(17)12(16-9)8-10-4-6-11(19-2)7-5-10/h4-8,13,16H,1H2,2-3H3.
What are the key properties of methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate?
methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 3480313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).