methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate

C14H11NO2S — CID 157283516

IUPACmethyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)C(c1ccccc1)=NC2
InChIInChI=1S/C14H11NO2S/c1-17-14(16)11-7-10-8-15-12(13(10)18-11)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyTVRBJMHJPVQKOF-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.89
Rot. Bonds2

About methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate

methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate (PubChem CID 157283516) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate
PubChem CID157283516
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Namemethyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)C(c1ccccc1)=NC2
InChIInChI=1S/C14H11NO2S/c1-17-14(16)11-7-10-8-15-12(13(10)18-11)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyTVRBJMHJPVQKOF-UHFFFAOYSA-N
XLogP2.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate
CID 158673655
methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 151400269
methyl 5-phenyl-1-benzothiophene-2-carboxylate
CID 19007392
methyl 5-ethyl-4-phenylthiophene-2-carboxylate
CID 58438730
dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate
CID 139216527
methyl 4-bromo-5-pyridin-3-ylthiophene-2-carboxylate
CID 165446791
methyl 4-phenyl-5-propylthiophene-2-carboxylate
CID 58438998
methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 2739690
methyl 6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 2323069
methyl 5-methylsulfanyl-4-(6-phenyl-2-pyridinyl)thiophene-2-carboxylate
CID 18536958
methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate
CID 2741197
methyl 4-anilino-5-methylthiophene-2-carboxylate
CID 18537139

Frequently Asked Questions

What is the IUPAC name of methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate?
The IUPAC name of methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate (CID 157283516) is methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate?
The canonical SMILES for methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate is COC(=O)c1cc2c(s1)C(c1ccccc1)=NC2.
What is the InChIKey of methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate?
The InChIKey is TVRBJMHJPVQKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-14(16)11-7-10-8-15-12(13(10)18-11)9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate?
methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate is sourced from PubChem (CID 157283516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).