(E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid

C18H15NO2 — CID 143173285

IUPAC(E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid
SMILES[H]/N=C(/C(=C)c1ccccc1)c1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C18H15NO2/c1-13(15-5-3-2-4-6-15)18(19)16-10-7-14(8-11-16)9-12-17(20)21/h2-12,19H,1H2,(H,20,21)/b12-9+,19-18-
InChIKeyFARJDKUTIPIYDJ-TWPIONJBSA-N
MW277.32 g/mol
LogP3.87
Rot. Bonds5

About (E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid

(E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid (PubChem CID 143173285) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid
PubChem CID143173285
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid
SMILES[H]/N=C(/C(=C)c1ccccc1)c1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C18H15NO2/c1-13(15-5-3-2-4-6-15)18(19)16-10-7-14(8-11-16)9-12-17(20)21/h2-12,19H,1H2,(H,20,21)/b12-9+,19-18-
InChIKeyFARJDKUTIPIYDJ-TWPIONJBSA-N
XLogP3.87
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-carbamimidoylphenyl)prop-2-enoic acid
CID 54071755
(Z)-3-phenylprop-2-enoic acid
CID 5372954
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
(E)-3-[4-[2-[4-(oxocarbamoyl)phenyl]prop-2-enoyl]phenyl]prop-2-enoic acid
CID 143173271
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
3-(4-carbonochloridoylphenyl)prop-2-enoic acid
CID 85441841
ethanol;3-phenylprop-2-enoic acid
CID 158830805

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid (CID 143173285) is (E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid is [H]/N=C(/C(=C)c1ccccc1)c1ccc(/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid?
The InChIKey is FARJDKUTIPIYDJ-TWPIONJBSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13(15-5-3-2-4-6-15)18(19)16-10-7-14(8-11-16)9-12-17(20)21/h2-12,19H,1H2,(H,20,21)/b12-9+,19-18-.
What are the key properties of (E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid?
(E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid has a molecular weight of 277.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-phenylprop-2-enimidoyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 143173285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).