cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone

C11H14OS — CID 130815499

IUPACcyclobutyl-(4,5-dimethylthiophen-3-yl)methanone
SMILESCc1scc(C(=O)C2CCC2)c1C
InChIInChI=1S/C11H14OS/c1-7-8(2)13-6-10(7)11(12)9-4-3-5-9/h6,9H,3-5H2,1-2H3
InChIKeyFYPLOBHUDUKQSY-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.35
Rot. Bonds2

About cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone

cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone (PubChem CID 130815499) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(4,5-dimethylthiophen-3-yl)methanone
PubChem CID130815499
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Namecyclobutyl-(4,5-dimethylthiophen-3-yl)methanone
SMILESCc1scc(C(=O)C2CCC2)c1C
InChIInChI=1S/C11H14OS/c1-7-8(2)13-6-10(7)11(12)9-4-3-5-9/h6,9H,3-5H2,1-2H3
InChIKeyFYPLOBHUDUKQSY-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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Related Compounds

cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone
CID 43161431
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953868
1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112886
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
N-ethyl-N,4,5-trimethylthiophene-3-carboxamide
CID 130891013
cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 82490597
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 27212063
(3-chloro-2-methylphenyl)-cycloheptylmethanone
CID 107101795
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
cyclobutyl-(3,5-dimethylphenyl)methanone
CID 24724134
(3-bromo-2-methylphenyl)-cyclohexylmethanone
CID 114962200

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone (CID 130815499) is cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone is Cc1scc(C(=O)C2CCC2)c1C.
What is the InChIKey of cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone?
The InChIKey is FYPLOBHUDUKQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-7-8(2)13-6-10(7)11(12)9-4-3-5-9/h6,9H,3-5H2,1-2H3.
What are the key properties of cyclobutyl-(4,5-dimethylthiophen-3-yl)methanone?
cyclobutyl-(4,5-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-(4,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 130815499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).