ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate

C15H14ClNO3 — CID 135516968

IUPACethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=Cc2ccc(Cl)cc2)N=C1C
InChIInChI=1S/C15H14ClNO3/c1-3-20-15(19)13-9(2)17-12(14(13)18)8-10-4-6-11(16)7-5-10/h4-8,18H,3H2,1-2H3
InChIKeyYJXWYMQVJTVWDT-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.53
Rot. Bonds3

About ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate

ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate (PubChem CID 135516968) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
PubChem CID135516968
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Nameethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=Cc2ccc(Cl)cc2)N=C1C
InChIInChI=1S/C15H14ClNO3/c1-3-20-15(19)13-9(2)17-12(14(13)18)8-10-4-6-11(16)7-5-10/h4-8,18H,3H2,1-2H3
InChIKeyYJXWYMQVJTVWDT-UHFFFAOYSA-N
XLogP3.53
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135545596
ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate
CID 135498075
ethyl (5E)-4-hydroxy-5-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2-methylpyrrole-3-carboxylate
CID 135432692
ethyl (5E)-5-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 136750483
methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135708694
methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate
CID 135522568
ethyl 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoate
CID 5298471
ethyl (5Z)-5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-propanoyliminothiophene-3-carboxylate
CID 137085947
ethyl (5E)-5-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135641280
methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate
CID 135449734
ethyl 2-(4-chlorophenyl)imino-4-hydroxy-5-[(4-methoxyphenyl)methylidene]thiophene-3-carboxylate
CID 135420281
ethyl 4-hydroxy-5-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylpyrrole-3-carboxylate
CID 135497771

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate?
The IUPAC name of ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate (CID 135516968) is ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=Cc2ccc(Cl)cc2)N=C1C.
What is the InChIKey of ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate?
The InChIKey is YJXWYMQVJTVWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-3-20-15(19)13-9(2)17-12(14(13)18)8-10-4-6-11(16)7-5-10/h4-8,18H,3H2,1-2H3.
What are the key properties of ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate?
ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate has a molecular weight of 291.73 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate is sourced from PubChem (CID 135516968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).