(2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one

C13H19NO — CID 142009606

IUPAC(2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one
SMILESC=C/C=C(\C=C)C(=O)C1CCN(C)CC1
InChIInChI=1S/C13H19NO/c1-4-6-11(5-2)13(15)12-7-9-14(3)10-8-12/h4-6,12H,1-2,7-10H2,3H3/b11-6+
InChIKeyDAAXHEXDLOYDMD-IZZDOVSWSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds4

About (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one

(2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one (PubChem CID 142009606) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one
PubChem CID142009606
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one
SMILESC=C/C=C(\C=C)C(=O)C1CCN(C)CC1
InChIInChI=1S/C13H19NO/c1-4-6-11(5-2)13(15)12-7-9-14(3)10-8-12/h4-6,12H,1-2,7-10H2,3H3/b11-6+
InChIKeyDAAXHEXDLOYDMD-IZZDOVSWSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one?
The IUPAC name of (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one (CID 142009606) is (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one?
The canonical SMILES for (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one is C=C/C=C(\C=C)C(=O)C1CCN(C)CC1.
What is the InChIKey of (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one?
The InChIKey is DAAXHEXDLOYDMD-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-6-11(5-2)13(15)12-7-9-14(3)10-8-12/h4-6,12H,1-2,7-10H2,3H3/b11-6+.
What are the key properties of (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one?
(2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-1-(1-methylpiperidin-4-yl)penta-2,4-dien-1-one is sourced from PubChem (CID 142009606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).