1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide

C18H12N2O2 — CID 135449789

IUPAC1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide
SMILESCc1ccc(/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H12N2O2/c1-11-6-8-12(9-7-11)20-15(10-19)16-17(21)13-4-2-3-5-14(13)18(16)22/h2-9,21H,1H3/b20-15+
InChIKeyPRIFNPLQBGUJIN-HMMYKYKNSA-N
MW288.31 g/mol
LogP3.76
Rot. Bonds2

About 1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide

1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide (PubChem CID 135449789) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide.

Molecular Properties

Compound Name1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide
PubChem CID135449789
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide
SMILESCc1ccc(/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H12N2O2/c1-11-6-8-12(9-7-11)20-15(10-19)16-17(21)13-4-2-3-5-14(13)18(16)22/h2-9,21H,1H3/b20-15+
InChIKeyPRIFNPLQBGUJIN-HMMYKYKNSA-N
XLogP3.76
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide?
The IUPAC name of 1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide (CID 135449789) is 1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide.
What is the SMILES notation for 1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide?
The canonical SMILES for 1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide is Cc1ccc(/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cc1.
What is the InChIKey of 1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide?
The InChIKey is PRIFNPLQBGUJIN-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-11-6-8-12(9-7-11)20-15(10-19)16-17(21)13-4-2-3-5-14(13)18(16)22/h2-9,21H,1H3/b20-15+.
What are the key properties of 1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide?
1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide has a molecular weight of 288.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(4-methylphenyl)-3-oxoindene-2-carboximidoyl cyanide is sourced from PubChem (CID 135449789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).