2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one

C10H12OS — CID 131182395

IUPAC2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one
SMILESCC1C(=O)C(C)C1c1ccsc1
InChIInChI=1S/C10H12OS/c1-6-9(7(2)10(6)11)8-3-4-12-5-8/h3-7,9H,1-2H3
InChIKeyRXPIVNLQECRUKT-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.69
Rot. Bonds1

About 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one

2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one (PubChem CID 131182395) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one.

Molecular Properties

Compound Name2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one
PubChem CID131182395
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one
SMILESCC1C(=O)C(C)C1c1ccsc1
InChIInChI=1S/C10H12OS/c1-6-9(7(2)10(6)11)8-3-4-12-5-8/h3-7,9H,1-2H3
InChIKeyRXPIVNLQECRUKT-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one?
The IUPAC name of 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one (CID 131182395) is 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one.
What is the SMILES notation for 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one?
The canonical SMILES for 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one is CC1C(=O)C(C)C1c1ccsc1.
What is the InChIKey of 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one?
The InChIKey is RXPIVNLQECRUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-6-9(7(2)10(6)11)8-3-4-12-5-8/h3-7,9H,1-2H3.
What are the key properties of 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one?
2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one has a molecular weight of 180.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one is sourced from PubChem (CID 131182395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).