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

C17H9ClN2O2 — CID 135444234

IUPACN-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
SMILESN#C/C(=N\c1ccc(Cl)cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H9ClN2O2/c18-10-5-7-11(8-6-10)20-14(9-19)15-16(21)12-3-1-2-4-13(12)17(15)22/h1-8,21H/b20-14+
InChIKeyRYZPNAOQWGKFBT-XSFVSMFZSA-N
MW308.72 g/mol
LogP4.10
Rot. Bonds2

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

N-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide (PubChem CID 135444234) has the molecular formula C17H9ClN2O2 and a molecular weight of 308.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
PubChem CID135444234
Molecular FormulaC17H9ClN2O2
Molecular Weight308.72 g/mol
Exact Mass308.04
IUPAC NameN-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
SMILESN#C/C(=N\c1ccc(Cl)cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H9ClN2O2/c18-10-5-7-11(8-6-10)20-14(9-19)15-16(21)12-3-1-2-4-13(12)17(15)22/h1-8,21H/b20-14+
InChIKeyRYZPNAOQWGKFBT-XSFVSMFZSA-N
XLogP4.10
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 54.10
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-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The IUPAC name of N-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide (CID 135444234) is N-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide.
What is the SMILES notation for N-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The canonical SMILES for N-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide is N#C/C(=N\c1ccc(Cl)cc1)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of N-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The InChIKey is RYZPNAOQWGKFBT-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H9ClN2O2/c18-10-5-7-11(8-6-10)20-14(9-19)15-16(21)12-3-1-2-4-13(12)17(15)22/h1-8,21H/b20-14+.
What are the key properties of N-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
N-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide has a molecular weight of 308.72 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide is sourced from PubChem (CID 135444234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).