2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone

C14H13NOS — CID 116554116

IUPAC2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H13NOS/c1-9-5-7-17-14(9)13(16)11-2-3-12-10(8-11)4-6-15-12/h2-3,5,7-8,15H,4,6H2,1H3
InChIKeyOUJBIJDFFSIILU-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.26
Rot. Bonds2

About 2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone

2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone (PubChem CID 116554116) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone
PubChem CID116554116
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H13NOS/c1-9-5-7-17-14(9)13(16)11-2-3-12-10(8-11)4-6-15-12/h2-3,5,7-8,15H,4,6H2,1H3
InChIKeyOUJBIJDFFSIILU-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 43462953
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
CID 63097473
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60939384
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
CID 116554112
2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid
CID 55097185
6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 79985526
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
5-prop-1-en-2-yl-2,3-dihydro-1H-indole
CID 130132973
2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93469546

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone (CID 116554116) is 2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone?
The InChIKey is OUJBIJDFFSIILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-9-5-7-17-14(9)13(16)11-2-3-12-10(8-11)4-6-15-12/h2-3,5,7-8,15H,4,6H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone?
2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone has a molecular weight of 243.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 116554116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).