methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate

C9H10O2S — CID 141349452

IUPACmethyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate
SMILESCOC(=O)C1SCC2=C1C=CC2
InChIInChI=1S/C9H10O2S/c1-11-9(10)8-7-4-2-3-6(7)5-12-8/h2,4,8H,3,5H2,1H3
InChIKeyDSHNDYIRAOJPAO-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.53
Rot. Bonds1

About methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate

methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate (PubChem CID 141349452) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate
PubChem CID141349452
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Namemethyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate
SMILESCOC(=O)C1SCC2=C1C=CC2
InChIInChI=1S/C9H10O2S/c1-11-9(10)8-7-4-2-3-6(7)5-12-8/h2,4,8H,3,5H2,1H3
InChIKeyDSHNDYIRAOJPAO-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate?
The IUPAC name of methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate (CID 141349452) is methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate.
What is the SMILES notation for methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate?
The canonical SMILES for methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate is COC(=O)C1SCC2=C1C=CC2.
What is the InChIKey of methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate?
The InChIKey is DSHNDYIRAOJPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-11-9(10)8-7-4-2-3-6(7)5-12-8/h2,4,8H,3,5H2,1H3.
What are the key properties of methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate?
methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate has a molecular weight of 182.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,6-dihydro-1H-cyclopenta[c]thiophene-3-carboxylate is sourced from PubChem (CID 141349452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).