(1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride

C11H15ClN2O3 — CID 89285686

IUPAC(1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride
SMILESCCOOC/C(Cl)=N/Nc1ccc(OC)cc1
InChIInChI=1S/C11H15ClN2O3/c1-3-16-17-8-11(12)14-13-9-4-6-10(15-2)7-5-9/h4-7,13H,3,8H2,1-2H3/b14-11-
InChIKeyVSXUIPGVHLDJJN-KAMYIIQDSA-N
MW258.70 g/mol
LogP2.63
Rot. Bonds7

About (1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride

(1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride (PubChem CID 89285686) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is (1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride
PubChem CID89285686
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name(1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride
SMILESCCOOC/C(Cl)=N/Nc1ccc(OC)cc1
InChIInChI=1S/C11H15ClN2O3/c1-3-16-17-8-11(12)14-13-9-4-6-10(15-2)7-5-9/h4-7,13H,3,8H2,1-2H3/b14-11-
InChIKeyVSXUIPGVHLDJJN-KAMYIIQDSA-N
XLogP2.63
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethyl (1E)-2-chloro-N-(4-methoxyphenyl)-2-oxoethanehydrazonate
CID 138388179
(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride
CID 90158450
2-fluoro-N'-(4-methoxyanilino)ethanimidamide
CID 141071523
ethyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 6880876
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
CID 131854983
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
N'-(4-methoxyanilino)-2-oxopropanimidamide
CID 6340122
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 2836812
N-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-4-methoxyaniline
CID 5387946

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride?
The IUPAC name of (1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride (CID 89285686) is (1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride.
What is the SMILES notation for (1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride?
The canonical SMILES for (1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride is CCOOC/C(Cl)=N/Nc1ccc(OC)cc1.
What is the InChIKey of (1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride?
The InChIKey is VSXUIPGVHLDJJN-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-3-16-17-8-11(12)14-13-9-4-6-10(15-2)7-5-9/h4-7,13H,3,8H2,1-2H3/b14-11-.
What are the key properties of (1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride?
(1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride has a molecular weight of 258.70 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride is sourced from PubChem (CID 89285686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).