(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride

C9H8ClN3O — CID 90158450

IUPAC(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride
SMILESCOc1ccc(N/N=C(/Cl)C#N)cc1
InChIInChI=1S/C9H8ClN3O/c1-14-8-4-2-7(3-5-8)12-13-9(10)6-11/h2-5,12H,1H3/b13-9+
InChIKeyDQSXFOGQBFCUEA-UKTHLTGXSA-N
MW209.64 g/mol
LogP2.18
Rot. Bonds3

About (1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride

(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride (PubChem CID 90158450) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is (1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride.

Molecular Properties

Compound Name(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride
PubChem CID90158450
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride
SMILESCOc1ccc(N/N=C(/Cl)C#N)cc1
InChIInChI=1S/C9H8ClN3O/c1-14-8-4-2-7(3-5-8)12-13-9(10)6-11/h2-5,12H,1H3/b13-9+
InChIKeyDQSXFOGQBFCUEA-UKTHLTGXSA-N
XLogP2.18
TPSA57.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide
CID 3914053
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169337896
ethyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 6880876
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584
(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
CID 6293273
(1Z)-2-amino-2-imino-N-[4-(4-methoxyphenoxy)anilino]ethanimidoyl cyanide
CID 172932012
(1Z)-2-amino-2-(azepan-1-ium-1-ylidene)-N-(4-methoxyanilino)ethanimidoyl cyanide
CID 6896439
(1Z)-2-ethylperoxy-N-(4-methoxyphenyl)ethanehydrazonoyl chloride
CID 89285686
ethyl (1E)-2-chloro-N-(4-methoxyphenyl)-2-oxoethanehydrazonate
CID 138388179
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
2-fluoro-N'-(4-methoxyanilino)ethanimidamide
CID 141071523
N'-(4-methoxyanilino)-2-oxopropanimidamide
CID 6340122

Frequently Asked Questions

What is the IUPAC name of (1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride?
The IUPAC name of (1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride (CID 90158450) is (1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride.
What is the SMILES notation for (1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride?
The canonical SMILES for (1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride is COc1ccc(N/N=C(/Cl)C#N)cc1.
What is the InChIKey of (1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride?
The InChIKey is DQSXFOGQBFCUEA-UKTHLTGXSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-14-8-4-2-7(3-5-8)12-13-9(10)6-11/h2-5,12H,1H3/b13-9+.
What are the key properties of (1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride?
(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride has a molecular weight of 209.64 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride is sourced from PubChem (CID 90158450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).