methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate

C14H12FNO3 — CID 135708694

IUPACmethyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)/C(=C/c2ccc(F)cc2)N=C1C
InChIInChI=1S/C14H12FNO3/c1-8-12(14(18)19-2)13(17)11(16-8)7-9-3-5-10(15)6-4-9/h3-7,17H,1-2H3/b11-7-
InChIKeyDDQSKDASBOMHMY-XFFZJAGNSA-N
MW261.25 g/mol
LogP2.63
Rot. Bonds2

About methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate

methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate (PubChem CID 135708694) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
PubChem CID135708694
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)/C(=C/c2ccc(F)cc2)N=C1C
InChIInChI=1S/C14H12FNO3/c1-8-12(14(18)19-2)13(17)11(16-8)7-9-3-5-10(15)6-4-9/h3-7,17H,1-2H3/b11-7-
InChIKeyDDQSKDASBOMHMY-XFFZJAGNSA-N
XLogP2.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate?
The IUPAC name of methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate (CID 135708694) is methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate.
What is the SMILES notation for methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate?
The canonical SMILES for methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate is COC(=O)C1=C(O)/C(=C/c2ccc(F)cc2)N=C1C.
What is the InChIKey of methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate?
The InChIKey is DDQSKDASBOMHMY-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-12(14(18)19-2)13(17)11(16-8)7-9-3-5-10(15)6-4-9/h3-7,17H,1-2H3/b11-7-.
What are the key properties of methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate?
methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate has a molecular weight of 261.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate is sourced from PubChem (CID 135708694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).