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

C18H11N3O5 — CID 135507069

IUPAC1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide
SMILESCOc1cc([N+](=O)[O-])ccc1/N=C(\C#N)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C18H11N3O5/c1-26-15-8-10(21(24)25)6-7-13(15)20-14(9-19)16-17(22)11-4-2-3-5-12(11)18(16)23/h2-8,22H,1H3/b20-14+
InChIKeySGNOURWOLQFPEQ-XSFVSMFZSA-N
MW349.30 g/mol
LogP3.37
Rot. Bonds4

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

1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide (PubChem CID 135507069) has the molecular formula C18H11N3O5 and a molecular weight of 349.30 g/mol. Its IUPAC name is 1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide.

Molecular Properties

Compound Name1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide
PubChem CID135507069
Molecular FormulaC18H11N3O5
Molecular Weight349.30 g/mol
Exact Mass349.07
IUPAC Name1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide
SMILESCOc1cc([N+](=O)[O-])ccc1/N=C(\C#N)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C18H11N3O5/c1-26-15-8-10(21(24)25)6-7-13(15)20-14(9-19)16-17(22)11-4-2-3-5-12(11)18(16)23/h2-8,22H,1H3/b20-14+
InChIKeySGNOURWOLQFPEQ-XSFVSMFZSA-N
XLogP3.37
TPSA125.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide
CID 135418989
sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide
CID 170844614
2-[N-(2-hydroxy-5-nitrophenyl)-C-methylcarbonimidoyl]-3-oxoinden-1-olate
CID 135622865
1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide
CID 54689424
3-hydroxy-2-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]inden-1-one
CID 135675030
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 166639984
ethane;2-methoxy-4-nitrophenol
CID 91188946
(2Z)-1-hydroxy-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxoindene-2-carboximidoyl cyanide
CID 135710061
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
CID 135519558
3-hydroxy-2-[(E)-C-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]carbonimidoyl]inden-1-one
CID 135848989
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide?
The IUPAC name of 1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide (CID 135507069) is 1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide.
What is the SMILES notation for 1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide?
The canonical SMILES for 1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide is COc1cc([N+](=O)[O-])ccc1/N=C(\C#N)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide?
The InChIKey is SGNOURWOLQFPEQ-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H11N3O5/c1-26-15-8-10(21(24)25)6-7-13(15)20-14(9-19)16-17(22)11-4-2-3-5-12(11)18(16)23/h2-8,22H,1H3/b20-14+.
What are the key properties of 1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide?
1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide has a molecular weight of 349.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide is sourced from PubChem (CID 135507069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).