methyl 3-(2-aminophenyl)prop-2-enoate

C10H11NO2 — CID 53439609

IUPACmethyl 3-(2-aminophenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccccc1N
InChIInChI=1S/C10H11NO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,11H2,1H3
InChIKeyTUQBDQPPBVABFN-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.46
Rot. Bonds2

About methyl 3-(2-aminophenyl)prop-2-enoate

methyl 3-(2-aminophenyl)prop-2-enoate (PubChem CID 53439609) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl 3-(2-aminophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2-aminophenyl)prop-2-enoate
PubChem CID53439609
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl 3-(2-aminophenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccccc1N
InChIInChI=1S/C10H11NO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,11H2,1H3
InChIKeyTUQBDQPPBVABFN-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminophenyl)prop-2-enoate?
The IUPAC name of methyl 3-(2-aminophenyl)prop-2-enoate (CID 53439609) is methyl 3-(2-aminophenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2-aminophenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(2-aminophenyl)prop-2-enoate is COC(=O)C=Cc1ccccc1N.
What is the InChIKey of methyl 3-(2-aminophenyl)prop-2-enoate?
The InChIKey is TUQBDQPPBVABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,11H2,1H3.
What are the key properties of methyl 3-(2-aminophenyl)prop-2-enoate?
methyl 3-(2-aminophenyl)prop-2-enoate has a molecular weight of 177.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminophenyl)prop-2-enoate is sourced from PubChem (CID 53439609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).