1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one

C18H15NO2 — CID 685050

IUPAC1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C18H15NO2/c20-17-12-13-19(16-9-5-4-8-15(16)17)18(21)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2/b11-10+
InChIKeyFYHXOGJVXUREFP-ZHACJKMWSA-N
MW277.32 g/mol
LogP3.32
Rot. Bonds2

About 1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one

1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one (PubChem CID 685050) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one
PubChem CID685050
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C18H15NO2/c20-17-12-13-19(16-9-5-4-8-15(16)17)18(21)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2/b11-10+
InChIKeyFYHXOGJVXUREFP-ZHACJKMWSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one (CID 685050) is 1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)/C=C/c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one?
The InChIKey is FYHXOGJVXUREFP-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17-12-13-19(16-9-5-4-8-15(16)17)18(21)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2/b11-10+.
What are the key properties of 1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one?
1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one has a molecular weight of 277.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 685050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).