5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile

C15H12N2OS — CID 22019363

IUPAC5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile
SMILESCC1(C)C(=O)Nc2ccc(-c3ccc(C#N)s3)cc21
InChIInChI=1S/C15H12N2OS/c1-15(2)11-7-9(3-5-12(11)17-14(15)18)13-6-4-10(8-16)19-13/h3-7H,1-2H3,(H,17,18)
InChIKeyIJZKPGCSGWNFLE-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.52
Rot. Bonds1

About 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile

5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile (PubChem CID 22019363) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile
PubChem CID22019363
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile
SMILESCC1(C)C(=O)Nc2ccc(-c3ccc(C#N)s3)cc21
InChIInChI=1S/C15H12N2OS/c1-15(2)11-7-9(3-5-12(11)17-14(15)18)13-6-4-10(8-16)19-13/h3-7H,1-2H3,(H,17,18)
InChIKeyIJZKPGCSGWNFLE-UHFFFAOYSA-N
XLogP3.52
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-Dimethyl-2-oxoindolin-5-yl)benzonitrile
CID 9903358
4-methyl-5-(2-sulfanylidenespiro[1H-indole-3,1'-cyclohexane]-5-yl)thiophene-2-carbonitrile
CID 10382522
(3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one
CID 977927
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-3-ethyl-1H-indol-2-one
CID 11566558
5-(3,3-Dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-4-methyl-thiophene-2-carbonitrile
CID 21986241
3,3-Dimethyl-5-(5-nitro-thiophen-2-yl)-1,3-dihydro-indol-2-one
CID 22019384
3-(Thiophen-2-ylmethylene)indolin-2-one
CID 727529
4-propyl-5-(2-sulfanylidenespiro[1H-indole-3,1'-cyclohexane]-5-yl)thiophene-2-carbonitrile
CID 10406621
4-butyl-5-(2-sulfanylidenespiro[1H-indole-3,1'-cyclohexane]-5-yl)thiophene-2-carbonitrile
CID 10429892
4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carbonitrile
CID 44355066
3-[1-(5-Ethyl-thiophen-2-yl)-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one
CID 10682457
3-[(Thien-2-yl)methylene]-2-indolinone
CID 308717

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile?
The IUPAC name of 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile (CID 22019363) is 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile is CC1(C)C(=O)Nc2ccc(-c3ccc(C#N)s3)cc21.
What is the InChIKey of 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile?
The InChIKey is IJZKPGCSGWNFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-15(2)11-7-9(3-5-12(11)17-14(15)18)13-6-4-10(8-16)19-13/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile?
5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile has a molecular weight of 268.34 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 22019363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).