methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate

C13H11Cl2NO3 — CID 745111

IUPACmethyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)C1
InChIInChI=1S/C13H11Cl2NO3/c1-7-11(13(18)19-2)6-12(17)16(7)10-4-8(14)3-9(15)5-10/h3-5H,6H2,1-2H3
InChIKeyPTRTZOSRMRFNRI-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.18
Rot. Bonds2

About methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate

methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (PubChem CID 745111) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
PubChem CID745111
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Namemethyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)C1
InChIInChI=1S/C13H11Cl2NO3/c1-7-11(13(18)19-2)6-12(17)16(7)10-4-8(14)3-9(15)5-10/h3-5H,6H2,1-2H3
InChIKeyPTRTZOSRMRFNRI-UHFFFAOYSA-N
XLogP3.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-(4-fluorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 585868
methyl 1-(3-chlorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 675085
Methyl 4-(3,5-dichloroanilino)-4-oxobutanoate
CID 722013
methyl 1-(3,4-dichlorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 740860
methyl 2-[1-(3,5-dichlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]acetate
CID 1472419
ethyl 2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 699750
methyl 1-(3-chloro-4-fluorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 923210
1-(3,5-Dichlorophenyl)-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 76330537
Methyl 4-[(3,5-dichlorophenyl)carbamoyl]-6-hydroxy-2-methyl-4,5-dihydropyridine-3-carboxylate
CID 5305850
methyl 1-(4-chlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 740858
Prop-2-enyl 4-(3,5-dichloroanilino)-2-methylidene-4-oxobutanoate
CID 13003183
Methyl 4-[(2,6-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-2-methyl-5-oxopyrrole-3-carboxylate
CID 985180

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The IUPAC name of methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (CID 745111) is methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
What is the SMILES notation for methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The canonical SMILES for methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)C1.
What is the InChIKey of methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The InChIKey is PTRTZOSRMRFNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-7-11(13(18)19-2)6-12(17)16(7)10-4-8(14)3-9(15)5-10/h3-5H,6H2,1-2H3.
What are the key properties of methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate has a molecular weight of 300.14 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5-dichlorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is sourced from PubChem (CID 745111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).