1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone

C13H18OS — CID 66476524

IUPAC1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone
SMILESCC1(C)C(C(=O)Cc2cccs2)C1(C)C
InChIInChI=1S/C13H18OS/c1-12(2)11(13(12,3)4)10(14)8-9-6-5-7-15-9/h5-7,11H,8H2,1-4H3
InChIKeyFNOARVPWAHIYTC-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.54
Rot. Bonds3

About 1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone

1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone (PubChem CID 66476524) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone
PubChem CID66476524
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone
SMILESCC1(C)C(C(=O)Cc2cccs2)C1(C)C
InChIInChI=1S/C13H18OS/c1-12(2)11(13(12,3)4)10(14)8-9-6-5-7-15-9/h5-7,11H,8H2,1-4H3
InChIKeyFNOARVPWAHIYTC-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107179308
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
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CID 79758315
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone
CID 62805632
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone (CID 66476524) is 1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone is CC1(C)C(C(=O)Cc2cccs2)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone?
The InChIKey is FNOARVPWAHIYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-12(2)11(13(12,3)4)10(14)8-9-6-5-7-15-9/h5-7,11H,8H2,1-4H3.
What are the key properties of 1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone?
1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone has a molecular weight of 222.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 66476524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).