prop-2-enyl 2-(2-aminophenyl)acetate

C11H13NO2 — CID 67741343

IUPACprop-2-enyl 2-(2-aminophenyl)acetate
SMILESC=CCOC(=O)Cc1ccccc1N
InChIInChI=1S/C11H13NO2/c1-2-7-14-11(13)8-9-5-3-4-6-10(9)12/h2-6H,1,7-8,12H2
InChIKeyXURHLBOMKMKGOR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.54
Rot. Bonds4

About prop-2-enyl 2-(2-aminophenyl)acetate

prop-2-enyl 2-(2-aminophenyl)acetate (PubChem CID 67741343) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is prop-2-enyl 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-aminophenyl)acetate
PubChem CID67741343
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameprop-2-enyl 2-(2-aminophenyl)acetate
SMILESC=CCOC(=O)Cc1ccccc1N
InChIInChI=1S/C11H13NO2/c1-2-7-14-11(13)8-9-5-3-4-6-10(9)12/h2-6H,1,7-8,12H2
InChIKeyXURHLBOMKMKGOR-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61321081
(3-hydroxy-3-methylbutyl) 2-(2-aminophenyl)acetate
CID 79356038
2-prop-2-enylaniline
CID 3036592
prop-2-enyl 2-(4-hydroxyphenyl)acetate
CID 11275537
pyridin-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61320697
2-(2-aminophenyl)acetyl bromide;hydrobromide
CID 71437218
methyl 2-fluoro-3-(2-oxo-2-prop-2-enoxyethyl)benzoate
CID 58345874
prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate
CID 67659535
2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate
CID 106448277

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2-aminophenyl)acetate?
The IUPAC name of prop-2-enyl 2-(2-aminophenyl)acetate (CID 67741343) is prop-2-enyl 2-(2-aminophenyl)acetate.
What is the SMILES notation for prop-2-enyl 2-(2-aminophenyl)acetate?
The canonical SMILES for prop-2-enyl 2-(2-aminophenyl)acetate is C=CCOC(=O)Cc1ccccc1N.
What is the InChIKey of prop-2-enyl 2-(2-aminophenyl)acetate?
The InChIKey is XURHLBOMKMKGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-7-14-11(13)8-9-5-3-4-6-10(9)12/h2-6H,1,7-8,12H2.
What are the key properties of prop-2-enyl 2-(2-aminophenyl)acetate?
prop-2-enyl 2-(2-aminophenyl)acetate has a molecular weight of 191.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-aminophenyl)acetate is sourced from PubChem (CID 67741343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).