[1-(4-chlorophenyl)ethenylamino] acetate

C10H10ClNO2 — CID 57179071

IUPAC[1-(4-chlorophenyl)ethenylamino] acetate
SMILESC=C(NOC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-7(12-14-8(2)13)9-3-5-10(11)6-4-9/h3-6,12H,1H2,2H3
InChIKeyVGMIXYRGWURGKJ-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.38
Rot. Bonds3

About [1-(4-chlorophenyl)ethenylamino] acetate

[1-(4-chlorophenyl)ethenylamino] acetate (PubChem CID 57179071) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is [1-(4-chlorophenyl)ethenylamino] acetate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)ethenylamino] acetate
PubChem CID57179071
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name[1-(4-chlorophenyl)ethenylamino] acetate
SMILESC=C(NOC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-7(12-14-8(2)13)9-3-5-10(11)6-4-9/h3-6,12H,1H2,2H3
InChIKeyVGMIXYRGWURGKJ-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Chlorophenyl)-1,2-oxazol-5-ol
CID 5056057
Ethyl 3-amino-3-(4-chlorophenyl)acrylate
CID 100999922
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
1-(4-chloro-3-fluorophenyl)-N-(1-methylcyclopropyl)oxyethenamine
CID 89143257
3-(4-Chloro-2-fluorophenyl)-1,2-oxazol-5-ol
CID 75359359
3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one
CID 130170904
3-(2-chloro-6-fluorophenyl)-2H-1,2-oxazol-5-one
CID 130570622
2-Acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one
CID 15415425
methyl (Z)-3-amino-3-(4-chlorophenyl)prop-2-enoate
CID 21201226
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetamide
CID 56975337
N-[1-(4-chlorophenyl)ethenylamino]oxy-N-methylacetamide
CID 56990111
N-[1-(4-chlorophenyl)ethenylamino]oxyacetamide
CID 56990726

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)ethenylamino] acetate?
The IUPAC name of [1-(4-chlorophenyl)ethenylamino] acetate (CID 57179071) is [1-(4-chlorophenyl)ethenylamino] acetate.
What is the SMILES notation for [1-(4-chlorophenyl)ethenylamino] acetate?
The canonical SMILES for [1-(4-chlorophenyl)ethenylamino] acetate is C=C(NOC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)ethenylamino] acetate?
The InChIKey is VGMIXYRGWURGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7(12-14-8(2)13)9-3-5-10(11)6-4-9/h3-6,12H,1H2,2H3.
What are the key properties of [1-(4-chlorophenyl)ethenylamino] acetate?
[1-(4-chlorophenyl)ethenylamino] acetate has a molecular weight of 211.65 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)ethenylamino] acetate is sourced from PubChem (CID 57179071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).