2-methyl-1-thiophen-3-ylprop-2-en-1-one

C8H8OS — CID 69300570

IUPAC2-methyl-1-thiophen-3-ylprop-2-en-1-one
SMILESC=C(C)C(=O)c1ccsc1
InChIInChI=1S/C8H8OS/c1-6(2)8(9)7-3-4-10-5-7/h3-5H,1H2,2H3
InChIKeyULTCBMVHPFROHP-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.51
Rot. Bonds2

About 2-methyl-1-thiophen-3-ylprop-2-en-1-one

2-methyl-1-thiophen-3-ylprop-2-en-1-one (PubChem CID 69300570) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-methyl-1-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-thiophen-3-ylprop-2-en-1-one
PubChem CID69300570
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name2-methyl-1-thiophen-3-ylprop-2-en-1-one
SMILESC=C(C)C(=O)c1ccsc1
InChIInChI=1S/C8H8OS/c1-6(2)8(9)7-3-4-10-5-7/h3-5H,1H2,2H3
InChIKeyULTCBMVHPFROHP-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-thiophen-3-ylprop-2-en-1-one
CID 3007420
3-but-1-en-2-ylthiophene
CID 91086928
3-buta-1,3-dien-2-ylthiophene;ethane;prop-1-ene
CID 143157871
tert-butyl 2-thiophen-3-ylprop-2-enoate
CID 139626969
ethyl 2-thiophen-3-ylprop-2-enoate
CID 89199275
(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one
CID 125485859
3-propan-2-yl-4-thiophen-3-ylpent-3-en-2-one
CID 123751253
1-thiophen-3-ylbut-3-yn-1-one
CID 62234411
3-(chloromethyl)-1-thiophen-3-ylbut-3-en-1-one
CID 10081525
3-(dimethylamino)-1-thiophen-3-ylbut-2-en-1-one
CID 2764349
ethane;1-(4-thiophen-3-ylphenyl)ethanone
CID 143391114
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of 2-methyl-1-thiophen-3-ylprop-2-en-1-one (CID 69300570) is 2-methyl-1-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for 2-methyl-1-thiophen-3-ylprop-2-en-1-one is C=C(C)C(=O)c1ccsc1.
What is the InChIKey of 2-methyl-1-thiophen-3-ylprop-2-en-1-one?
The InChIKey is ULTCBMVHPFROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-6(2)8(9)7-3-4-10-5-7/h3-5H,1H2,2H3.
What are the key properties of 2-methyl-1-thiophen-3-ylprop-2-en-1-one?
2-methyl-1-thiophen-3-ylprop-2-en-1-one has a molecular weight of 152.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 69300570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).