ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C11H13NO3S — CID 759951

IUPACethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC=O)sc2c1CCC2
InChIInChI=1S/C11H13NO3S/c1-2-15-11(14)9-7-4-3-5-8(7)16-10(9)12-6-13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyBGWVDRPZXMCPLG-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.98
Rot. Bonds4

About ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 759951) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID759951
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Nameethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC=O)sc2c1CCC2
InChIInChI=1S/C11H13NO3S/c1-2-15-11(14)9-7-4-3-5-8(7)16-10(9)12-6-13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyBGWVDRPZXMCPLG-UHFFFAOYSA-N
XLogP1.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 759951) is ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is CCOC(=O)c1c(NC=O)sc2c1CCC2.
What is the InChIKey of ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is BGWVDRPZXMCPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-2-15-11(14)9-7-4-3-5-8(7)16-10(9)12-6-13/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 759951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).