methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate

C11H11NO2S — CID 14910424

IUPACmethyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Cn1cccc1
InChIInChI=1S/C11H11NO2S/c1-14-11(13)10-9(4-7-15-10)8-12-5-2-3-6-12/h2-7H,8H2,1H3
InChIKeyIROVSJVZTGKJOL-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.38
Rot. Bonds3

About methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate

methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate (PubChem CID 14910424) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate
PubChem CID14910424
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Namemethyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Cn1cccc1
InChIInChI=1S/C11H11NO2S/c1-14-11(13)10-9(4-7-15-10)8-12-5-2-3-6-12/h2-7H,8H2,1H3
InChIKeyIROVSJVZTGKJOL-UHFFFAOYSA-N
XLogP2.38
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid
CID 14910436
methyl 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carboxylate
CID 10730447
methyl 3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate
CID 97054784
methyl 3-[(prop-2-enoylamino)methyl]thiophene-2-carboxylate
CID 166414579
methyl 3-but-3-ynylthiophene-2-carboxylate
CID 165180469
methyl 3-(aminomethyl)thiophene-2-carboxylate;methyl 3-(bromomethyl)thiophene-2-carboxylate
CID 157354994
methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate
CID 167880953
methyl 3-indolizin-3-ylthiophene-2-carboxylate
CID 141145966
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methyl]thiophene-2-carboxylate
CID 98875034
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate (CID 14910424) is methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate is COC(=O)c1sccc1Cn1cccc1.
What is the InChIKey of methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate?
The InChIKey is IROVSJVZTGKJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-14-11(13)10-9(4-7-15-10)8-12-5-2-3-6-12/h2-7H,8H2,1H3.
What are the key properties of methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate?
methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate has a molecular weight of 221.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate is sourced from PubChem (CID 14910424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).