1,3,3-trimethyl-2-oxoindole-5-carbonitrile

C12H12N2O — CID 10679532

IUPAC1,3,3-trimethyl-2-oxoindole-5-carbonitrile
SMILESCN1C(=O)C(C)(C)c2cc(C#N)ccc21
InChIInChI=1S/C12H12N2O/c1-12(2)9-6-8(7-13)4-5-10(9)14(3)11(12)15/h4-6H,1-3H3
InChIKeyDKKKDESMIZSZTG-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.81
Rot. Bonds

About 1,3,3-trimethyl-2-oxoindole-5-carbonitrile

1,3,3-trimethyl-2-oxoindole-5-carbonitrile (PubChem CID 10679532) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-oxoindole-5-carbonitrile.

Molecular Properties

Compound Name1,3,3-trimethyl-2-oxoindole-5-carbonitrile
PubChem CID10679532
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1,3,3-trimethyl-2-oxoindole-5-carbonitrile
SMILESCN1C(=O)C(C)(C)c2cc(C#N)ccc21
InChIInChI=1S/C12H12N2O/c1-12(2)9-6-8(7-13)4-5-10(9)14(3)11(12)15/h4-6H,1-3H3
InChIKeyDKKKDESMIZSZTG-UHFFFAOYSA-N
XLogP1.81
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-oxoindole-5-carbonitrile?
The IUPAC name of 1,3,3-trimethyl-2-oxoindole-5-carbonitrile (CID 10679532) is 1,3,3-trimethyl-2-oxoindole-5-carbonitrile.
What is the SMILES notation for 1,3,3-trimethyl-2-oxoindole-5-carbonitrile?
The canonical SMILES for 1,3,3-trimethyl-2-oxoindole-5-carbonitrile is CN1C(=O)C(C)(C)c2cc(C#N)ccc21.
What is the InChIKey of 1,3,3-trimethyl-2-oxoindole-5-carbonitrile?
The InChIKey is DKKKDESMIZSZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-12(2)9-6-8(7-13)4-5-10(9)14(3)11(12)15/h4-6H,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-oxoindole-5-carbonitrile?
1,3,3-trimethyl-2-oxoindole-5-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-oxoindole-5-carbonitrile is sourced from PubChem (CID 10679532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).