1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one

C10H14OS — CID 43131948

IUPAC1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
SMILESCCc1ccc(C(=O)C(C)C)s1
InChIInChI=1S/C10H14OS/c1-4-8-5-6-9(12-8)10(11)7(2)3/h5-7H,4H2,1-3H3
InChIKeyOMLFHCDSWVHHRF-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.15
Rot. Bonds3

About 1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one

1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one (PubChem CID 43131948) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
PubChem CID43131948
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
SMILESCCc1ccc(C(=O)C(C)C)s1
InChIInChI=1S/C10H14OS/c1-4-8-5-6-9(12-8)10(11)7(2)3/h5-7H,4H2,1-3H3
InChIKeyOMLFHCDSWVHHRF-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one
CID 43160928
5-(2-methylpropanoyl)thiophene-2-carboxylic acid
CID 59462743
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084
N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104555878
N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide
CID 65193940
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645
1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone
CID 114974142
2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid
CID 61021518
1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 83880201
(E)-4-(5-ethylthiophen-2-yl)pent-3-en-2-ol
CID 103971310

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one (CID 43131948) is 1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one is CCc1ccc(C(=O)C(C)C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one?
The InChIKey is OMLFHCDSWVHHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-4-8-5-6-9(12-8)10(11)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one?
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one has a molecular weight of 182.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 43131948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).