[(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride

C11H11Cl3N4 — CID 71601752

IUPAC[(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride
SMILESC[N+](C)=C/C(N=[N+]=[N-])=C(/Cl)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C11H11Cl2N4.ClH/c1-17(2)7-10(15-16-14)11(13)8-3-5-9(12)6-4-8;/h3-7H,1-2H3;1H/q+1;/p-1/b11-10-;
InChIKeyUNWSUKRVTHABKO-GMFCBQQYSA-M
MW305.60 g/mol
LogP0.90
Rot. Bonds3

About [(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride

[(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride (PubChem CID 71601752) has the molecular formula C11H11Cl3N4 and a molecular weight of 305.60 g/mol. Its IUPAC name is [(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride
PubChem CID71601752
Molecular FormulaC11H11Cl3N4
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name[(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride
SMILESC[N+](C)=C/C(N=[N+]=[N-])=C(/Cl)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C11H11Cl2N4.ClH/c1-17(2)7-10(15-16-14)11(13)8-3-5-9(12)6-4-8;/h3-7H,1-2H3;1H/q+1;/p-1/b11-10-;
InChIKeyUNWSUKRVTHABKO-GMFCBQQYSA-M
XLogP0.90
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
1-[(Z)-1-azido-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
CID 122231193
[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate
CID 135052899
(Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 102102284
[(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate
CID 14248617
methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate
CID 13399245
1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene
CID 166063999
(Z)-2-azido-3-(2-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 135071485
[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate
CID 6446895
4-(4-carbonazidoylphenyl)benzoyl azide
CID 101036064
1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
CID 166064052
2-[chloro-(4-chlorophenyl)methylidene]pentanal
CID 3019219

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride?
The IUPAC name of [(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride (CID 71601752) is [(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride.
What is the SMILES notation for [(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride?
The canonical SMILES for [(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride is C[N+](C)=C/C(N=[N+]=[N-])=C(/Cl)c1ccc(Cl)cc1.[Cl-].
What is the InChIKey of [(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride?
The InChIKey is UNWSUKRVTHABKO-GMFCBQQYSA-M. The full InChI is InChI=1S/C11H11Cl2N4.ClH/c1-17(2)7-10(15-16-14)11(13)8-3-5-9(12)6-4-8;/h3-7H,1-2H3;1H/q+1;/p-1/b11-10-;.
What are the key properties of [(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride?
[(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride has a molecular weight of 305.60 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-azido-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium chloride is sourced from PubChem (CID 71601752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).