2-[methyl(phenyl)hydrazinylidene]acetyl chloride

C9H9ClN2O — CID 23261017

IUPAC2-[methyl(phenyl)hydrazinylidene]acetyl chloride
SMILESCN(N=CC(=O)Cl)c1ccccc1
InChIInChI=1S/C9H9ClN2O/c1-12(11-7-9(10)13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyABYQTYGJGCNYGJ-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.87
Rot. Bonds3

About 2-[methyl(phenyl)hydrazinylidene]acetyl chloride

2-[methyl(phenyl)hydrazinylidene]acetyl chloride (PubChem CID 23261017) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-[methyl(phenyl)hydrazinylidene]acetyl chloride.

Molecular Properties

Compound Name2-[methyl(phenyl)hydrazinylidene]acetyl chloride
PubChem CID23261017
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-[methyl(phenyl)hydrazinylidene]acetyl chloride
SMILESCN(N=CC(=O)Cl)c1ccccc1
InChIInChI=1S/C9H9ClN2O/c1-12(11-7-9(10)13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyABYQTYGJGCNYGJ-UHFFFAOYSA-N
XLogP1.87
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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

N-[(Z)-[(3Z)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]-N-methylaniline
CID 6080786
N-methyl-N-[(Z)-[(2Z)-2-[methyl(phenyl)hydrazinylidene]-2-phenylethylidene]amino]aniline
CID 40540962
N-[(E)-[(2E,3E)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]aniline
CID 18531202
2-[methyl(phenyl)hydrazinylidene]propanedioic acid
CID 165345794
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-methylaniline
CID 7584047
2-[chloro(phenyl)hydrazinylidene]acetic acid
CID 54527253
methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium
CID 143819841
methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline
CID 143565487
ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate
CID 72730658
2-[[methyl(phenyl)hydrazinylidene]methyl]-N,N-diphenylaniline
CID 71246235
3-ethenyl-1-methyl-1-phenylurea
CID 108909168
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenyl)hydrazinylidene]acetyl chloride?
The IUPAC name of 2-[methyl(phenyl)hydrazinylidene]acetyl chloride (CID 23261017) is 2-[methyl(phenyl)hydrazinylidene]acetyl chloride.
What is the SMILES notation for 2-[methyl(phenyl)hydrazinylidene]acetyl chloride?
The canonical SMILES for 2-[methyl(phenyl)hydrazinylidene]acetyl chloride is CN(N=CC(=O)Cl)c1ccccc1.
What is the InChIKey of 2-[methyl(phenyl)hydrazinylidene]acetyl chloride?
The InChIKey is ABYQTYGJGCNYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-12(11-7-9(10)13)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 2-[methyl(phenyl)hydrazinylidene]acetyl chloride?
2-[methyl(phenyl)hydrazinylidene]acetyl chloride has a molecular weight of 196.64 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenyl)hydrazinylidene]acetyl chloride is sourced from PubChem (CID 23261017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).