2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one

C13H15NO — CID 58618415

IUPAC2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one
SMILESC=CC=C1CC(=CC=CC=CNC)C1=O
InChIInChI=1S/C13H15NO/c1-3-7-11-10-12(13(11)15)8-5-4-6-9-14-2/h3-9,14H,1,10H2,2H3
InChIKeyMSOINFSWNWDZDP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.29
Rot. Bonds4

About 2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one

2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one (PubChem CID 58618415) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one.

Molecular Properties

Compound Name2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one
PubChem CID58618415
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one
SMILESC=CC=C1CC(=CC=CC=CNC)C1=O
InChIInChI=1S/C13H15NO/c1-3-7-11-10-12(13(11)15)8-5-4-6-9-14-2/h3-9,14H,1,10H2,2H3
InChIKeyMSOINFSWNWDZDP-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one?
The IUPAC name of 2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one (CID 58618415) is 2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one.
What is the SMILES notation for 2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one?
The canonical SMILES for 2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one is C=CC=C1CC(=CC=CC=CNC)C1=O.
What is the InChIKey of 2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one?
The InChIKey is MSOINFSWNWDZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-7-11-10-12(13(11)15)8-5-4-6-9-14-2/h3-9,14H,1,10H2,2H3.
What are the key properties of 2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one?
2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one is sourced from PubChem (CID 58618415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).