[(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate

C17H14O4S — CID 7621467

IUPAC[(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(O[C@@H]1CCCC1=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H14O4S/c18-12-5-3-7-14(12)21-17(19)15-8-10-9-20-13-6-2-1-4-11(13)16(10)22-15/h1-2,4,6,8,14H,3,5,7,9H2/t14-/m1/s1
InChIKeyAYDCQWSSMZFLHR-CQSZACIVSA-N
MW314.36 g/mol
LogP3.59
Rot. Bonds2

About [(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate

[(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 7621467) has the molecular formula C17H14O4S and a molecular weight of 314.36 g/mol. Its IUPAC name is [(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name[(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID7621467
Molecular FormulaC17H14O4S
Molecular Weight314.36 g/mol
Exact Mass314.06
IUPAC Name[(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(O[C@@H]1CCCC1=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H14O4S/c18-12-5-3-7-14(12)21-17(19)15-8-10-9-20-13-6-2-1-4-11(13)16(10)22-15/h1-2,4,6,8,14H,3,5,7,9H2/t14-/m1/s1
InChIKeyAYDCQWSSMZFLHR-CQSZACIVSA-N
XLogP3.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of [(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate (CID 7621467) is [(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for [(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for [(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate is O=C(O[C@@H]1CCCC1=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of [(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is AYDCQWSSMZFLHR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14O4S/c18-12-5-3-7-14(12)21-17(19)15-8-10-9-20-13-6-2-1-4-11(13)16(10)22-15/h1-2,4,6,8,14H,3,5,7,9H2/t14-/m1/s1.
What are the key properties of [(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
[(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 314.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 7621467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).