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

C19H14N2O2 — CID 135408874

IUPACN-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
SMILESCc1ccc(/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cc1C
InChIInChI=1S/C19H14N2O2/c1-11-7-8-13(9-12(11)2)21-16(10-20)17-18(22)14-5-3-4-6-15(14)19(17)23/h3-9,22H,1-2H3/b21-16+
InChIKeyLTMFBYZHSZBDIV-LTGZKZEYSA-N
MW302.33 g/mol
LogP4.07
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide (PubChem CID 135408874) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
PubChem CID135408874
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC NameN-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
SMILESCc1ccc(/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cc1C
InChIInChI=1S/C19H14N2O2/c1-11-7-8-13(9-12(11)2)21-16(10-20)17-18(22)14-5-3-4-6-15(14)19(17)23/h3-9,22H,1-2H3/b21-16+
InChIKeyLTMFBYZHSZBDIV-LTGZKZEYSA-N
XLogP4.07
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.07
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 N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide (CID 135408874) is N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide is Cc1ccc(/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The InChIKey is LTMFBYZHSZBDIV-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-11-7-8-13(9-12(11)2)21-16(10-20)17-18(22)14-5-3-4-6-15(14)19(17)23/h3-9,22H,1-2H3/b21-16+.
What are the key properties of N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide has a molecular weight of 302.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide is sourced from PubChem (CID 135408874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).