[(E)-3-phenylprop-2-enyl] 2-aminobenzoate

C16H15NO2 — CID 5284369

IUPAC[(E)-3-phenylprop-2-enyl] 2-aminobenzoate
SMILESNc1ccccc1C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+
InChIKeyGABQNAFEZZDSCM-RMKNXTFCSA-N
MW253.30 g/mol
LogP3.14
Rot. Bonds4

About [(E)-3-phenylprop-2-enyl] 2-aminobenzoate

[(E)-3-phenylprop-2-enyl] 2-aminobenzoate (PubChem CID 5284369) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-aminobenzoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-aminobenzoate
PubChem CID5284369
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-aminobenzoate
SMILESNc1ccccc1C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+
InChIKeyGABQNAFEZZDSCM-RMKNXTFCSA-N
XLogP3.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Anthranilic Acid
CID 227
Benzocaine
CID 2337
Methyl Anthranilate
CID 8635
Butyl 4-aminobenzoate
CID 2482
Methyl N-methylanthranilate
CID 6826
Linalyl anthranilate
CID 23535
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
Phenethyl anthranilate
CID 8615
Ethyl 3-aminobenzoate
CID 11400
Risocaine
CID 7174
Isobutamben
CID 7176

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-aminobenzoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-aminobenzoate (CID 5284369) is [(E)-3-phenylprop-2-enyl] 2-aminobenzoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-aminobenzoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-aminobenzoate is Nc1ccccc1C(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-aminobenzoate?
The InChIKey is GABQNAFEZZDSCM-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-aminobenzoate?
[(E)-3-phenylprop-2-enyl] 2-aminobenzoate has a molecular weight of 253.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2-aminobenzoate is sourced from PubChem (CID 5284369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).