methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate

C19H21NO4 — CID 955771

IUPACmethyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate
SMILESCOC(=O)C1=CN(C2CCCC2)C(=O)/C1=C\c1ccc(OC)cc1
InChIInChI=1S/C19H21NO4/c1-23-15-9-7-13(8-10-15)11-16-17(19(22)24-2)12-20(18(16)21)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3/b16-11-
InChIKeyKXKGAAGSMDXZNI-WJDWOHSUSA-N
MW327.38 g/mol
LogP2.92
Rot. Bonds4

About methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate

methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate (PubChem CID 955771) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate
PubChem CID955771
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate
SMILESCOC(=O)C1=CN(C2CCCC2)C(=O)/C1=C\c1ccc(OC)cc1
InChIInChI=1S/C19H21NO4/c1-23-15-9-7-13(8-10-15)11-16-17(19(22)24-2)12-20(18(16)21)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3/b16-11-
InChIKeyKXKGAAGSMDXZNI-WJDWOHSUSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (4Z)-4-[(4-chlorophenyl)methylidene]-1-cyclopentyl-2-methyl-5-oxopyrrole-3-carboxylate
CID 5426002
methyl (4Z)-1-cyclopentyl-4-[(3-methoxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 6263492
methyl 4-[(E)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 18774071
methyl (4Z)-1-cyclopentyl-4-[(3,4-dichlorophenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 21373607
methyl (4E)-4-[(4-ethylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrole-3-carboxylate
CID 2176737
methyl 4-[(Z)-(1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
CID 126086671
methyl 1-cyclopentyl-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 3481921
N-cyclopentyl-6-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 4759107
methyl (4Z)-4-[(4-chlorophenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrole-3-carboxylate
CID 94847053
(5E)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-[(4-methoxyphenyl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 98155851
N-cyclohexyl-6-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 6203513
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068

Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate?
The IUPAC name of methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate (CID 955771) is methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate.
What is the SMILES notation for methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate?
The canonical SMILES for methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate is COC(=O)C1=CN(C2CCCC2)C(=O)/C1=C\c1ccc(OC)cc1.
What is the InChIKey of methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate?
The InChIKey is KXKGAAGSMDXZNI-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-15-9-7-13(8-10-15)11-16-17(19(22)24-2)12-20(18(16)21)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3/b16-11-.
What are the key properties of methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate?
methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate is sourced from PubChem (CID 955771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).