4-(thiophene-2-carbonyl)oxolan-2-one

C9H8O3S — CID 2801357

IUPAC4-(thiophene-2-carbonyl)oxolan-2-one
SMILESO=C1CC(C(=O)c2cccs2)CO1
InChIInChI=1S/C9H8O3S/c10-8-4-6(5-12-8)9(11)7-2-1-3-13-7/h1-3,6H,4-5H2
InChIKeyIVAZAFMGQGWHJX-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.49
Rot. Bonds2

About 4-(thiophene-2-carbonyl)oxolan-2-one

4-(thiophene-2-carbonyl)oxolan-2-one (PubChem CID 2801357) has the molecular formula C9H8O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-(thiophene-2-carbonyl)oxolan-2-one.

Molecular Properties

Compound Name4-(thiophene-2-carbonyl)oxolan-2-one
PubChem CID2801357
Molecular FormulaC9H8O3S
Molecular Weight196.23 g/mol
Exact Mass196.02
IUPAC Name4-(thiophene-2-carbonyl)oxolan-2-one
SMILESO=C1CC(C(=O)c2cccs2)CO1
InChIInChI=1S/C9H8O3S/c10-8-4-6(5-12-8)9(11)7-2-1-3-13-7/h1-3,6H,4-5H2
InChIKeyIVAZAFMGQGWHJX-UHFFFAOYSA-N
XLogP1.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophene-2-carbonyl)oxolan-2-one?
The IUPAC name of 4-(thiophene-2-carbonyl)oxolan-2-one (CID 2801357) is 4-(thiophene-2-carbonyl)oxolan-2-one.
What is the SMILES notation for 4-(thiophene-2-carbonyl)oxolan-2-one?
The canonical SMILES for 4-(thiophene-2-carbonyl)oxolan-2-one is O=C1CC(C(=O)c2cccs2)CO1.
What is the InChIKey of 4-(thiophene-2-carbonyl)oxolan-2-one?
The InChIKey is IVAZAFMGQGWHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3S/c10-8-4-6(5-12-8)9(11)7-2-1-3-13-7/h1-3,6H,4-5H2.
What are the key properties of 4-(thiophene-2-carbonyl)oxolan-2-one?
4-(thiophene-2-carbonyl)oxolan-2-one has a molecular weight of 196.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophene-2-carbonyl)oxolan-2-one is sourced from PubChem (CID 2801357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).