3-methyl-1-thiophen-2-ylpentan-1-one

C10H14OS — CID 62621870

IUPAC3-methyl-1-thiophen-2-ylpentan-1-one
SMILESCCC(C)CC(=O)c1cccs1
InChIInChI=1S/C10H14OS/c1-3-8(2)7-9(11)10-5-4-6-12-10/h4-6,8H,3,7H2,1-2H3
InChIKeyVUOJJIBOHNVTMS-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.37
Rot. Bonds4

About 3-methyl-1-thiophen-2-ylpentan-1-one

3-methyl-1-thiophen-2-ylpentan-1-one (PubChem CID 62621870) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-methyl-1-thiophen-2-ylpentan-1-one.

Molecular Properties

Compound Name3-methyl-1-thiophen-2-ylpentan-1-one
PubChem CID62621870
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name3-methyl-1-thiophen-2-ylpentan-1-one
SMILESCCC(C)CC(=O)c1cccs1
InChIInChI=1S/C10H14OS/c1-3-8(2)7-9(11)10-5-4-6-12-10/h4-6,8H,3,7H2,1-2H3
InChIKeyVUOJJIBOHNVTMS-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-thiophen-2-ylhexan-1-one
CID 62621869
2-(2-methylbutylsulfanyl)-1-thiophen-2-ylethanone
CID 107752740
3-methyl-1-thiophen-2-ylhexane-1,4-dione
CID 14866583
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
CID 116606438
1-thiophen-2-ylpropan-1-one
CID 26179
2-methyl-1-phenyl-4-thiophen-2-ylbutane-1,4-dione
CID 2802249
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
4-(2-methylbutylsulfonyl)-1-thiophen-2-ylbutan-1-one
CID 107767773
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid
CID 908362
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide
CID 94259803
1-amino-4-methyl-1-thiophen-2-ylhexan-2-one
CID 116601482

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-2-ylpentan-1-one?
The IUPAC name of 3-methyl-1-thiophen-2-ylpentan-1-one (CID 62621870) is 3-methyl-1-thiophen-2-ylpentan-1-one.
What is the SMILES notation for 3-methyl-1-thiophen-2-ylpentan-1-one?
The canonical SMILES for 3-methyl-1-thiophen-2-ylpentan-1-one is CCC(C)CC(=O)c1cccs1.
What is the InChIKey of 3-methyl-1-thiophen-2-ylpentan-1-one?
The InChIKey is VUOJJIBOHNVTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-8(2)7-9(11)10-5-4-6-12-10/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 3-methyl-1-thiophen-2-ylpentan-1-one?
3-methyl-1-thiophen-2-ylpentan-1-one has a molecular weight of 182.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thiophen-2-ylpentan-1-one is sourced from PubChem (CID 62621870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).