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

C18H15NO — CID 130185154

IUPAC(3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H15NO/c20-18-16(11-6-9-14-7-2-1-3-8-14)13-15-10-4-5-12-17(15)19-18/h1-12H,13H2,(H,19,20)/b9-6+,16-11+
InChIKeyJHXJDFMJYPDISY-KCJIIOMUSA-N
MW261.32 g/mol
LogP3.82
Rot. Bonds2

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

(3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one (PubChem CID 130185154) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one
PubChem CID130185154
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H15NO/c20-18-16(11-6-9-14-7-2-1-3-8-14)13-15-10-4-5-12-17(15)19-18/h1-12H,13H2,(H,19,20)/b9-6+,16-11+
InChIKeyJHXJDFMJYPDISY-KCJIIOMUSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(aminomethylidene)-1,4-dihydroquinolin-2-one
CID 143664951
2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
5-cinnamylideneimidazolidine-2,4-dione
CID 965914
(3E)-3-[(2-bromophenyl)methylidene]-1,4-dihydroquinolin-2-one
CID 143664927
(2E,7E)-2,7-bis[(Z)-3-phenylprop-2-enylidene]cycloheptan-1-one
CID 92533937
(3E)-3-[[4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,4-dihydroquinolin-2-one
CID 24900048
(3E)-3-[(4-bromothiophen-2-yl)methylidene]-1,4-dihydroquinolin-2-one
CID 143664923
(5E)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 746867
9,10-dihydroacridine
CID 137366999
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
1,3-dihydroindol-2-one;ethane
CID 54350510

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one?
The IUPAC name of (3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one (CID 130185154) is (3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one.
What is the SMILES notation for (3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one?
The canonical SMILES for (3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one is O=C1Nc2ccccc2C/C1=C\C=C\c1ccccc1.
What is the InChIKey of (3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one?
The InChIKey is JHXJDFMJYPDISY-KCJIIOMUSA-N. The full InChI is InChI=1S/C18H15NO/c20-18-16(11-6-9-14-7-2-1-3-8-14)13-15-10-4-5-12-17(15)19-18/h1-12H,13H2,(H,19,20)/b9-6+,16-11+.
What are the key properties of (3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one?
(3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one has a molecular weight of 261.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 130185154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).