cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone

C11H14OS — CID 43161431

IUPACcyclobutyl-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2CCC2)c(C)s1
InChIInChI=1S/C11H14OS/c1-7-6-10(8(2)13-7)11(12)9-4-3-5-9/h6,9H,3-5H2,1-2H3
InChIKeyAKQCEYMSUUDBOK-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.35
Rot. Bonds2

About cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone

cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 43161431) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID43161431
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Namecyclobutyl-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2CCC2)c(C)s1
InChIInChI=1S/C11H14OS/c1-7-6-10(8(2)13-7)11(12)9-4-3-5-9/h6,9H,3-5H2,1-2H3
InChIKeyAKQCEYMSUUDBOK-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone (CID 43161431) is cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone is Cc1cc(C(=O)C2CCC2)c(C)s1.
What is the InChIKey of cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is AKQCEYMSUUDBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-7-6-10(8(2)13-7)11(12)9-4-3-5-9/h6,9H,3-5H2,1-2H3.
What are the key properties of cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone?
cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 194.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 43161431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).