1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide

C13H10N2O3 — CID 135403621

IUPAC1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide
SMILESN#C/C(=N\CCO)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C13H10N2O3/c14-7-10(15-5-6-16)11-12(17)8-3-1-2-4-9(8)13(11)18/h1-4,16-17H,5-6H2/b15-10+
InChIKeyOVBXUZCXBGEKAR-XNTDXEJSSA-N
MW242.23 g/mol
LogP1.11
Rot. Bonds3

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

1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide (PubChem CID 135403621) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide.

Molecular Properties

Compound Name1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide
PubChem CID135403621
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide
SMILESN#C/C(=N\CCO)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C13H10N2O3/c14-7-10(15-5-6-16)11-12(17)8-3-1-2-4-9(8)13(11)18/h1-4,16-17H,5-6H2/b15-10+
InChIKeyOVBXUZCXBGEKAR-XNTDXEJSSA-N
XLogP1.11
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

1H-Indene-1,3(2H)-dione, 2-(((2-methylpropyl)amino)methylene)-
CID 135442004
2-[(methylamino)methylene]-1H-indene-1,3(2H)-dione
CID 135416860
2-(1-{[3-(diethylamino)propyl]amino}ethylidene)-1H-indene-1,3(2H)-dione
CID 135411339
2-[1-(cyclohexylamino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135441997
1H-Indene-1,3(2H)-dione, 2-((ethylamino)methylene)-
CID 135416861
1H-Indene-1,3(2H)-dione, 2-(((1-methylethyl)amino)methylene)-
CID 135416870
1H-Indene-1,3(2H)-dione, 2-(((cyclopropylmethyl)amino)methylene)-
CID 135489575
2-[1-(2,2-dimethylhydrazino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135401411
2-[(cyclopropylamino)methylene]-1H-indene-1,3(2H)-dione
CID 135410705
2-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-1H-indene-1,3(2H)-dione
CID 135411296
2-[1-(cyclopropylamino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135421775
2-[1-(propylamino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135476832

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide?
The IUPAC name of 1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide (CID 135403621) is 1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide.
What is the SMILES notation for 1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide?
The canonical SMILES for 1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide is N#C/C(=N\CCO)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide?
The InChIKey is OVBXUZCXBGEKAR-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H10N2O3/c14-7-10(15-5-6-16)11-12(17)8-3-1-2-4-9(8)13(11)18/h1-4,16-17H,5-6H2/b15-10+.
What are the key properties of 1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide?
1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide has a molecular weight of 242.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(2-hydroxyethyl)-3-oxoindene-2-carboximidoyl cyanide is sourced from PubChem (CID 135403621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).