(1-methoxycyclobutyl)-thiophen-2-ylmethanone

C10H12O2S — CID 116707010

IUPAC(1-methoxycyclobutyl)-thiophen-2-ylmethanone
SMILESCOC1(C(=O)c2cccs2)CCC1
InChIInChI=1S/C10H12O2S/c1-12-10(5-3-6-10)9(11)8-4-2-7-13-8/h2,4,7H,3,5-6H2,1H3
InChIKeyOIXSDBAQFZFIGG-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.50
Rot. Bonds3

About (1-methoxycyclobutyl)-thiophen-2-ylmethanone

(1-methoxycyclobutyl)-thiophen-2-ylmethanone (PubChem CID 116707010) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-thiophen-2-ylmethanone
PubChem CID116707010
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name(1-methoxycyclobutyl)-thiophen-2-ylmethanone
SMILESCOC1(C(=O)c2cccs2)CCC1
InChIInChI=1S/C10H12O2S/c1-12-10(5-3-6-10)9(11)8-4-2-7-13-8/h2,4,7H,3,5-6H2,1H3
InChIKeyOIXSDBAQFZFIGG-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxycycloheptyl)-thiophen-2-ylmethanone
CID 116750550
(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
CID 116749917
1-(thiophene-2-carbonyl)cyclopropane-1-carboxylic acid
CID 116920934
[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethanone
CID 79067610
(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone
CID 104610097
(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone
CID 116750454
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 113432684
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
formyl thiophene-2-carboxylate
CID 22645353
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone
CID 116707050

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-thiophen-2-ylmethanone?
The IUPAC name of (1-methoxycyclobutyl)-thiophen-2-ylmethanone (CID 116707010) is (1-methoxycyclobutyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (1-methoxycyclobutyl)-thiophen-2-ylmethanone?
The canonical SMILES for (1-methoxycyclobutyl)-thiophen-2-ylmethanone is COC1(C(=O)c2cccs2)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-thiophen-2-ylmethanone?
The InChIKey is OIXSDBAQFZFIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-12-10(5-3-6-10)9(11)8-4-2-7-13-8/h2,4,7H,3,5-6H2,1H3.
What are the key properties of (1-methoxycyclobutyl)-thiophen-2-ylmethanone?
(1-methoxycyclobutyl)-thiophen-2-ylmethanone has a molecular weight of 196.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 116707010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).