(2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one

C12H15NO — CID 143107778

IUPAC(2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one
SMILESC=C/C=C1/NCCC(=O)/C1=C/C=C\C
InChIInChI=1S/C12H15NO/c1-3-5-7-10-11(6-4-2)13-9-8-12(10)14/h3-7,13H,2,8-9H2,1H3/b5-3-,10-7+,11-6+
InChIKeyHSLAOHAXIIKRTC-RTYLAVIESA-N
MW189.26 g/mol
LogP2.12
Rot. Bonds2

About (2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one

(2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one (PubChem CID 143107778) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one.

Molecular Properties

Compound Name(2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one
PubChem CID143107778
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one
SMILESC=C/C=C1/NCCC(=O)/C1=C/C=C\C
InChIInChI=1S/C12H15NO/c1-3-5-7-10-11(6-4-2)13-9-8-12(10)14/h3-7,13H,2,8-9H2,1H3/b5-3-,10-7+,11-6+
InChIKeyHSLAOHAXIIKRTC-RTYLAVIESA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
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 (2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one?
The IUPAC name of (2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one (CID 143107778) is (2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one.
What is the SMILES notation for (2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one?
The canonical SMILES for (2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one is C=C/C=C1/NCCC(=O)/C1=C/C=C\C.
What is the InChIKey of (2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one?
The InChIKey is HSLAOHAXIIKRTC-RTYLAVIESA-N. The full InChI is InChI=1S/C12H15NO/c1-3-5-7-10-11(6-4-2)13-9-8-12(10)14/h3-7,13H,2,8-9H2,1H3/b5-3-,10-7+,11-6+.
What are the key properties of (2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one?
(2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one has a molecular weight of 189.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one is sourced from PubChem (CID 143107778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).