(E)-4-(2-phenylselanylethylamino)pent-3-en-2-one

C13H17NOSe — CID 15905113

IUPAC(E)-4-(2-phenylselanylethylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(\C)NCC[Se]c1ccccc1
InChIInChI=1S/C13H17NOSe/c1-11(10-12(2)15)14-8-9-16-13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3/b11-10+
InChIKeyUKMYMFJBWMRASX-ZHACJKMWSA-N
MW282.25 g/mol
LogP1.52
Rot. Bonds6

About (E)-4-(2-phenylselanylethylamino)pent-3-en-2-one

(E)-4-(2-phenylselanylethylamino)pent-3-en-2-one (PubChem CID 15905113) has the molecular formula C13H17NOSe and a molecular weight of 282.25 g/mol. Its IUPAC name is (E)-4-(2-phenylselanylethylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(2-phenylselanylethylamino)pent-3-en-2-one
PubChem CID15905113
Molecular FormulaC13H17NOSe
Molecular Weight282.25 g/mol
Exact Mass283.05
IUPAC Name(E)-4-(2-phenylselanylethylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(\C)NCC[Se]c1ccccc1
InChIInChI=1S/C13H17NOSe/c1-11(10-12(2)15)14-8-9-16-13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3/b11-10+
InChIKeyUKMYMFJBWMRASX-ZHACJKMWSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-(2-phenylselanylethylamino)pent-3-en-2-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 (E)-4-(2-phenylselanylethylamino)pent-3-en-2-one?
The IUPAC name of (E)-4-(2-phenylselanylethylamino)pent-3-en-2-one (CID 15905113) is (E)-4-(2-phenylselanylethylamino)pent-3-en-2-one.
What is the SMILES notation for (E)-4-(2-phenylselanylethylamino)pent-3-en-2-one?
The canonical SMILES for (E)-4-(2-phenylselanylethylamino)pent-3-en-2-one is CC(=O)/C=C(\C)NCC[Se]c1ccccc1.
What is the InChIKey of (E)-4-(2-phenylselanylethylamino)pent-3-en-2-one?
The InChIKey is UKMYMFJBWMRASX-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H17NOSe/c1-11(10-12(2)15)14-8-9-16-13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3/b11-10+.
What are the key properties of (E)-4-(2-phenylselanylethylamino)pent-3-en-2-one?
(E)-4-(2-phenylselanylethylamino)pent-3-en-2-one has a molecular weight of 282.25 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-phenylselanylethylamino)pent-3-en-2-one is sourced from PubChem (CID 15905113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).