1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide

C19H14N2O3 — CID 135418989

IUPAC1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide
SMILESCOc1ccc(C/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H14N2O3/c1-24-13-8-6-12(7-9-13)11-21-16(10-20)17-18(22)14-4-2-3-5-15(14)19(17)23/h2-9,22H,11H2,1H3/b21-16+
InChIKeyCTAJPKOWVOAAMP-LTGZKZEYSA-N
MW318.33 g/mol
LogP3.33
Rot. Bonds4

About 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide

1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide (PubChem CID 135418989) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide.

Molecular Properties

Compound Name1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide
PubChem CID135418989
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide
SMILESCOc1ccc(C/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H14N2O3/c1-24-13-8-6-12(7-9-13)11-21-16(10-20)17-18(22)14-4-2-3-5-15(14)19(17)23/h2-9,22H,11H2,1H3/b21-16+
InChIKeyCTAJPKOWVOAAMP-LTGZKZEYSA-N
XLogP3.33
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
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'}

Analyze 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide
CID 135438579
1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide
CID 135458626
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
CID 135508665
4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione
CID 135784059
1-cyano-2-[(4-methoxyphenyl)methyl]guanidine
CID 71332508
1-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-yn-1-imine
CID 57408596
N-[(2S)-3-[(4-methoxyphenyl)methylimino]-1,4-dioxonaphthalen-2-yl]acetamide
CID 7289963
N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,4-dioxonaphthalene-2-carboxamide
CID 22216697
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
4-hydroxy-3-[N-[(4-methoxyphenyl)methyl]-C-methylcarbonimidoyl]chromen-2-one
CID 146020961

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide?
The IUPAC name of 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide (CID 135418989) is 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide.
What is the SMILES notation for 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide?
The canonical SMILES for 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide is COc1ccc(C/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cc1.
What is the InChIKey of 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide?
The InChIKey is CTAJPKOWVOAAMP-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-24-13-8-6-12(7-9-13)11-21-16(10-20)17-18(22)14-4-2-3-5-15(14)19(17)23/h2-9,22H,11H2,1H3/b21-16+.
What are the key properties of 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide?
1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide has a molecular weight of 318.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide is sourced from PubChem (CID 135418989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).