2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile

C11H8N4O2 — CID 169338994

IUPAC2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile
SMILESCC(=O)c1cc(O)ccc1NN=C(C#N)C#N
InChIInChI=1S/C11H8N4O2/c1-7(16)10-4-9(17)2-3-11(10)15-14-8(5-12)6-13/h2-4,15,17H,1H3
InChIKeyDMHQKBWJWORCPG-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.41
Rot. Bonds3

About 2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile

2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169338994) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile
PubChem CID169338994
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile
SMILESCC(=O)c1cc(O)ccc1NN=C(C#N)C#N
InChIInChI=1S/C11H8N4O2/c1-7(16)10-4-9(17)2-3-11(10)15-14-8(5-12)6-13/h2-4,15,17H,1H3
InChIKeyDMHQKBWJWORCPG-UHFFFAOYSA-N
XLogP1.41
TPSA109.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[2-(dicyanomethylidene)hydrazinyl]benzoic acid
CID 169341935
2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169342003
methyl 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]benzoate
CID 169341688
5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide
CID 169338329
ethyl 2-[2-(dicyanomethylidene)hydrazinyl]-5-iodobenzoate
CID 169337413
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid
CID 169341790
2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide
CID 169340655
methyl 2-[2-(dicyanomethylidene)hydrazinyl]-4-(trifluoromethyl)benzoate
CID 169337670
methyl 2-[2-(dicyanomethylidene)hydrazinyl]-4-nitrobenzoate
CID 169339245
2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341142
3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide
CID 169337914

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile (CID 169338994) is 2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile is CC(=O)c1cc(O)ccc1NN=C(C#N)C#N.
What is the InChIKey of 2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is DMHQKBWJWORCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-7(16)10-4-9(17)2-3-11(10)15-14-8(5-12)6-13/h2-4,15,17H,1H3.
What are the key properties of 2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile?
2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 228.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).