(4-aminophenyl) (E)-3-phenylprop-2-enoate

C15H13NO2 — CID 87778224

IUPAC(4-aminophenyl) (E)-3-phenylprop-2-enoate
SMILESNc1ccc(OC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H13NO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11H,16H2/b11-6+
InChIKeyPNJHIAUVKBFAJL-IZZDOVSWSA-N
MW239.27 g/mol
LogP2.89
Rot. Bonds3

About (4-aminophenyl) (E)-3-phenylprop-2-enoate

(4-aminophenyl) (E)-3-phenylprop-2-enoate (PubChem CID 87778224) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (4-aminophenyl) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(4-aminophenyl) (E)-3-phenylprop-2-enoate
PubChem CID87778224
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(4-aminophenyl) (E)-3-phenylprop-2-enoate
SMILESNc1ccc(OC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H13NO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11H,16H2/b11-6+
InChIKeyPNJHIAUVKBFAJL-IZZDOVSWSA-N
XLogP2.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3,5-diaminophenyl) 3-phenylprop-2-enoate
CID 69435702
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
CID 149241121
(4-aminophenyl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate
CID 146213732
(4-aminophenyl) (E)-3-[4-[4-[(E)-3-(4-aminophenoxy)-3-oxoprop-1-enyl]benzoyl]phenyl]prop-2-enoate
CID 90399468
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
(4-aminophenyl) (E)-3-[4-(aminomethyl)phenyl]prop-2-enoate
CID 174578586
[4-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 67745574

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) (E)-3-phenylprop-2-enoate?
The IUPAC name of (4-aminophenyl) (E)-3-phenylprop-2-enoate (CID 87778224) is (4-aminophenyl) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (4-aminophenyl) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (4-aminophenyl) (E)-3-phenylprop-2-enoate is Nc1ccc(OC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (4-aminophenyl) (E)-3-phenylprop-2-enoate?
The InChIKey is PNJHIAUVKBFAJL-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H13NO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11H,16H2/b11-6+.
What are the key properties of (4-aminophenyl) (E)-3-phenylprop-2-enoate?
(4-aminophenyl) (E)-3-phenylprop-2-enoate has a molecular weight of 239.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 87778224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).