methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate

C15H15NO3S — CID 114916536

IUPACmethyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-n1ccc2c1CCCC2=O
InChIInChI=1S/C15H15NO3S/c1-9-8-20-14(15(18)19-2)13(9)16-7-6-10-11(16)4-3-5-12(10)17/h6-8H,3-5H2,1-2H3
InChIKeyYVKJTINEBODVRS-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.15
Rot. Bonds2

About methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate

methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate (PubChem CID 114916536) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate
PubChem CID114916536
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-n1ccc2c1CCCC2=O
InChIInChI=1S/C15H15NO3S/c1-9-8-20-14(15(18)19-2)13(9)16-7-6-10-11(16)4-3-5-12(10)17/h6-8H,3-5H2,1-2H3
InChIKeyYVKJTINEBODVRS-UHFFFAOYSA-N
XLogP3.15
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2,5-dioxopyrrol-1-yl)-4-methylthiophene-2-carboxylate
CID 2808337
1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one
CID 141033006
1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one
CID 107603133
methyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
CID 81107719
1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one
CID 115379070
1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one
CID 63466404
methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
CID 103172898
1-(2,4,5-trichlorophenyl)-6,7-dihydro-5H-indol-4-one
CID 63466580
methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate
CID 3811641
1-(dimethylamino)-6,7-dihydro-5H-indol-4-one
CID 83023680
methyl 3-(2,3-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxylate
CID 107514017
1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one
CID 107801156

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate (CID 114916536) is methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate is COC(=O)c1scc(C)c1-n1ccc2c1CCCC2=O.
What is the InChIKey of methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate?
The InChIKey is YVKJTINEBODVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-9-8-20-14(15(18)19-2)13(9)16-7-6-10-11(16)4-3-5-12(10)17/h6-8H,3-5H2,1-2H3.
What are the key properties of methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate?
methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 114916536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).