ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate

C15H18N2O3S — CID 648676

IUPACethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)N1CCCC1
InChIInChI=1S/C15H18N2O3S/c1-2-20-15(19)12-9-13-11(5-8-21-13)17(12)10-14(18)16-6-3-4-7-16/h5,8-9H,2-4,6-7,10H2,1H3
InChIKeyLPXHSSOAEAXOOG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.50
Rot. Bonds4

About ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate

ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 648676) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID648676
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nameethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)N1CCCC1
InChIInChI=1S/C15H18N2O3S/c1-2-20-15(19)12-9-13-11(5-8-21-13)17(12)10-14(18)16-6-3-4-7-16/h5,8-9H,2-4,6-7,10H2,1H3
InChIKeyLPXHSSOAEAXOOG-UHFFFAOYSA-N
XLogP2.50
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

methyl 4-{[ethyl(3-methylphenyl)carbamoyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 16011099
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 649131
ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 292163
methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 4058811
4-[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl]-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
CID 645743
4-Isopropoxycarbonylmethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 646834
4-(4-Cyano-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 646989
2-Methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
CID 650749
4-Ethoxycarbonylmethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 650948
3-[(4-Methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)-amino]-benzoic acid ethyl ester
CID 651357
4-[2-(2,3-Dihydro-indol-1-yl)-2-oxo-ethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 651808
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 651900

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate (CID 648676) is ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCC1.
What is the InChIKey of ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is LPXHSSOAEAXOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-20-15(19)12-9-13-11(5-8-21-13)17(12)10-14(18)16-6-3-4-7-16/h5,8-9H,2-4,6-7,10H2,1H3.
What are the key properties of ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 648676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).