4-(5-methylthiophene-2-carbonyl)oxolan-2-one

C10H10O3S — CID 10398198

IUPAC4-(5-methylthiophene-2-carbonyl)oxolan-2-one
SMILESCc1ccc(C(=O)C2COC(=O)C2)s1
InChIInChI=1S/C10H10O3S/c1-6-2-3-8(14-6)10(12)7-4-9(11)13-5-7/h2-3,7H,4-5H2,1H3
InChIKeyLJZOBTGGQGRMFC-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.80
Rot. Bonds2

About 4-(5-methylthiophene-2-carbonyl)oxolan-2-one

4-(5-methylthiophene-2-carbonyl)oxolan-2-one (PubChem CID 10398198) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-(5-methylthiophene-2-carbonyl)oxolan-2-one.

Molecular Properties

Compound Name4-(5-methylthiophene-2-carbonyl)oxolan-2-one
PubChem CID10398198
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name4-(5-methylthiophene-2-carbonyl)oxolan-2-one
SMILESCc1ccc(C(=O)C2COC(=O)C2)s1
InChIInChI=1S/C10H10O3S/c1-6-2-3-8(14-6)10(12)7-4-9(11)13-5-7/h2-3,7H,4-5H2,1H3
InChIKeyLJZOBTGGQGRMFC-UHFFFAOYSA-N
XLogP1.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophene-2-carbonyl)oxolan-2-one?
The IUPAC name of 4-(5-methylthiophene-2-carbonyl)oxolan-2-one (CID 10398198) is 4-(5-methylthiophene-2-carbonyl)oxolan-2-one.
What is the SMILES notation for 4-(5-methylthiophene-2-carbonyl)oxolan-2-one?
The canonical SMILES for 4-(5-methylthiophene-2-carbonyl)oxolan-2-one is Cc1ccc(C(=O)C2COC(=O)C2)s1.
What is the InChIKey of 4-(5-methylthiophene-2-carbonyl)oxolan-2-one?
The InChIKey is LJZOBTGGQGRMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c1-6-2-3-8(14-6)10(12)7-4-9(11)13-5-7/h2-3,7H,4-5H2,1H3.
What are the key properties of 4-(5-methylthiophene-2-carbonyl)oxolan-2-one?
4-(5-methylthiophene-2-carbonyl)oxolan-2-one has a molecular weight of 210.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophene-2-carbonyl)oxolan-2-one is sourced from PubChem (CID 10398198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).