methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate

C17H15NO3 — CID 142675680

IUPACmethyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate
SMILESCOC(=O)c1oc(-c2ccccc2C)cc1-n1cccc1
InChIInChI=1S/C17H15NO3/c1-12-7-3-4-8-13(12)15-11-14(18-9-5-6-10-18)16(21-15)17(19)20-2/h3-11H,1-2H3
InChIKeyISPVCXQXUVRKDE-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.83
Rot. Bonds3

About methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate

methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate (PubChem CID 142675680) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate
PubChem CID142675680
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate
SMILESCOC(=O)c1oc(-c2ccccc2C)cc1-n1cccc1
InChIInChI=1S/C17H15NO3/c1-12-7-3-4-8-13(12)15-11-14(18-9-5-6-10-18)16(21-15)17(19)20-2/h3-11H,1-2H3
InChIKeyISPVCXQXUVRKDE-UHFFFAOYSA-N
XLogP3.83
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate
CID 117222454
dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953679
dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953690
methyl 2-methyl-3,6-bis(2-methylphenyl)benzoate
CID 58232399
dimethyl 2-(2-methylphenyl)furan-3,4-dicarboxylate
CID 141186952
methyl 3-(2-methylphenyl)-1,2-oxazole-4-carboxylate
CID 870098
methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate
CID 122239270
2,3-dimethyl-5-(2-methylphenyl)furan
CID 172731165
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
methyl 3-methyl-5-(2-methylphenyl)benzoate
CID 158969225
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
methyl 4-tert-butyl-2-(2,5-dimethylphenyl)-1,3-oxazole-5-carboxylate
CID 114370843

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate?
The IUPAC name of methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate (CID 142675680) is methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate?
The canonical SMILES for methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate is COC(=O)c1oc(-c2ccccc2C)cc1-n1cccc1.
What is the InChIKey of methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate?
The InChIKey is ISPVCXQXUVRKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12-7-3-4-8-13(12)15-11-14(18-9-5-6-10-18)16(21-15)17(19)20-2/h3-11H,1-2H3.
What are the key properties of methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate?
methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate is sourced from PubChem (CID 142675680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).