Cinnamyl Anthranilate

C16H15NO2 — CID 5284369

IUPAC[(E)-3-phenylprop-2-enyl] 2-aminobenzoate
SMILESC1=CC=C(C=C1)/C=C/COC(=O)C2=CC=CC=C2N
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
MW253.29 g/mol
LogP4.00
Rot. Bonds5

About Cinnamyl Anthranilate

Cinnamyl Anthranilate (PubChem CID 5284369) has the molecular formula C16H15NO2 and a molecular weight of 253.29 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-aminobenzoate.

Molecular Properties

Compound NameCinnamyl Anthranilate
PubChem CID5284369
Molecular FormulaC16H15NO2
Molecular Weight253.29 g/mol
Exact Mass253.11
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-aminobenzoate
SMILESC1=CC=C(C=C1)/C=C/COC(=O)C2=CC=CC=C2N
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
XLogP4.00
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity308

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 54.00
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 Cinnamyl Anthranilate?
The IUPAC name of Cinnamyl Anthranilate (CID 5284369) is [(E)-3-phenylprop-2-enyl] 2-aminobenzoate.
What is the SMILES notation for Cinnamyl Anthranilate?
The canonical SMILES for Cinnamyl Anthranilate is C1=CC=C(C=C1)/C=C/COC(=O)C2=CC=CC=C2N.
What is the InChIKey of Cinnamyl Anthranilate?
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 Cinnamyl Anthranilate?
Cinnamyl Anthranilate has a molecular weight of 253.29 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Cinnamyl Anthranilate is sourced from PubChem (CID 5284369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).