1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile

C14H15NO — CID 71342098

IUPAC1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile
SMILESCC1(C)C(=O)C(C)(C)c2cc(C#N)ccc21
InChIInChI=1S/C14H15NO/c1-13(2)10-6-5-9(8-15)7-11(10)14(3,4)12(13)16/h5-7H,1-4H3
InChIKeyZBVFCIKTEDTGNR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.70
Rot. Bonds

About 1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile

1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile (PubChem CID 71342098) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile
PubChem CID71342098
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile
SMILESCC1(C)C(=O)C(C)(C)c2cc(C#N)ccc21
InChIInChI=1S/C14H15NO/c1-13(2)10-6-5-9(8-15)7-11(10)14(3,4)12(13)16/h5-7H,1-4H3
InChIKeyZBVFCIKTEDTGNR-UHFFFAOYSA-N
XLogP2.70
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile
CID 82490767
7,9,9-trimethylfluorene-2-carbonitrile
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7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 170276569
2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile
CID 118408607
(5-cyano-1,3-dimethyl-2-oxoindol-3-yl)methyl thiocyanate
CID 135045619
(2Z)-1,3,3-trimethyl-2-(2-oxoethylidene)indole-5-carbonitrile
CID 88842905
5,5-dimethyl-2-oxo-4H-1,3,2λ4-benzodioxathiepine-7-carbonitrile
CID 20536216
1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile
CID 170119544
(1aR,7bR)-2,2-dimethyl-3-oxo-1a,7b-dihydronaphtho[1,2-b]oxirene-6-carbonitrile
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5-hydroxy-5-methyl-7,8-dihydro-6H-naphthalene-2-carbonitrile
CID 102408738
4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride
CID 86767500
azane;benzene-1,4-dicarbonitrile
CID 174336566

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile?
The IUPAC name of 1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile (CID 71342098) is 1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile?
The canonical SMILES for 1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile is CC1(C)C(=O)C(C)(C)c2cc(C#N)ccc21.
What is the InChIKey of 1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile?
The InChIKey is ZBVFCIKTEDTGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-13(2)10-6-5-9(8-15)7-11(10)14(3,4)12(13)16/h5-7H,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile?
1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile is sourced from PubChem (CID 71342098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).