[(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate

C10H8ClN3O2 — CID 14248617

IUPAC[(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate
SMILESCC(=O)O/C(=C\N=[N+]=[N-])c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O2/c1-7(15)16-10(6-13-14-12)8-2-4-9(11)5-3-8/h2-6H,1H3/b10-6-
InChIKeyWZCJTTOGCFGRFX-POHAHGRESA-N
MW237.65 g/mol
LogP3.51
Rot. Bonds3

About [(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate

[(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate (PubChem CID 14248617) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is [(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate.

Molecular Properties

Compound Name[(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate
PubChem CID14248617
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name[(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate
SMILESCC(=O)O/C(=C\N=[N+]=[N-])c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O2/c1-7(15)16-10(6-13-14-12)8-2-4-9(11)5-3-8/h2-6H,1H3/b10-6-
InChIKeyWZCJTTOGCFGRFX-POHAHGRESA-N
XLogP3.51
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-azido-2-(4-methylphenyl)prop-2-enoate
CID 177460454
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
[2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate
CID 102045286
[(E)-4-(4-chlorophenyl)-4-phenylbut-3-enyl] acetate
CID 102243525
1-(4-chlorophenyl)-3-methylbut-2-en-1-one
CID 15164203
2-methylprop-1-enyl 4-chlorobenzoate
CID 10703694
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
(4-chlorophenyl) acetate
CID 13410
[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
3-(4-chlorophenyl)but-2-enoic acid
CID 54307451
4-chloro-N-propan-2-ylbenzamide
CID 24045

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate?
The IUPAC name of [(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate (CID 14248617) is [(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate.
What is the SMILES notation for [(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate?
The canonical SMILES for [(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate is CC(=O)O/C(=C\N=[N+]=[N-])c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate?
The InChIKey is WZCJTTOGCFGRFX-POHAHGRESA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-7(15)16-10(6-13-14-12)8-2-4-9(11)5-3-8/h2-6H,1H3/b10-6-.
What are the key properties of [(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate?
[(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate has a molecular weight of 237.65 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-azido-1-(4-chlorophenyl)ethenyl] acetate is sourced from PubChem (CID 14248617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).