ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate

C13H17NO2S — CID 1438845

IUPACethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(C)C
InChIInChI=1S/C13H17NO2S/c1-4-16-13(15)11-7-12-10(5-6-17-12)14(11)8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyPNUGIXWCSXCELY-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.54
Rot. Bonds4

About ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate

ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438845) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID1438845
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Nameethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(C)C
InChIInChI=1S/C13H17NO2S/c1-4-16-13(15)11-7-12-10(5-6-17-12)14(11)8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyPNUGIXWCSXCELY-UHFFFAOYSA-N
XLogP3.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxylate
CID 1438926
ethyl 4-[2-(dimethylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438924
ethyl 4-[2-(azepan-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438890
ethyl 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438921
ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate
CID 146348691
ethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438909
ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 655865
ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate
CID 118918143
4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 75770167
N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 75768805
diethyl 1-[(2R)-2,3-dihydroxypropyl]indole-2,6-dicarboxylate
CID 58767575
ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
CID 118913719

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate (CID 1438845) is ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sccc2n1CC(C)C.
What is the InChIKey of ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is PNUGIXWCSXCELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-4-16-13(15)11-7-12-10(5-6-17-12)14(11)8-9(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 251.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).