(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one

C10H13NO — CID 90454229

IUPAC(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one
SMILESC=C/C=C1/C(=O)NCC/C1=C/C
InChIInChI=1S/C10H13NO/c1-3-5-9-8(4-2)6-7-11-10(9)12/h3-5H,1,6-7H2,2H3,(H,11,12)/b8-4-,9-5+
InChIKeyPWADYBORZQUTAB-MVTUOISNSA-N
MW163.22 g/mol
LogP1.57
Rot. Bonds1

About (3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one

(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one (PubChem CID 90454229) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one.

Molecular Properties

Compound Name(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one
PubChem CID90454229
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one
SMILESC=C/C=C1/C(=O)NCC/C1=C/C
InChIInChI=1S/C10H13NO/c1-3-5-9-8(4-2)6-7-11-10(9)12/h3-5H,1,6-7H2,2H3,(H,11,12)/b8-4-,9-5+
InChIKeyPWADYBORZQUTAB-MVTUOISNSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one?
The IUPAC name of (3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one (CID 90454229) is (3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one.
What is the SMILES notation for (3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one?
The canonical SMILES for (3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one is C=C/C=C1/C(=O)NCC/C1=C/C.
What is the InChIKey of (3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one?
The InChIKey is PWADYBORZQUTAB-MVTUOISNSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-9-8(4-2)6-7-11-10(9)12/h3-5H,1,6-7H2,2H3,(H,11,12)/b8-4-,9-5+.
What are the key properties of (3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one?
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidin-2-one is sourced from PubChem (CID 90454229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).