N,N-diethyl-3-phenylselanylprop-2-enamide

C13H17NOSe — CID 134963903

IUPACN,N-diethyl-3-phenylselanylprop-2-enamide
SMILESCCN(CC)C(=O)C=C[Se]c1ccccc1
InChIInChI=1S/C13H17NOSe/c1-3-14(4-2)13(15)10-11-16-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyFXSPODUPQQGXAD-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.40
Rot. Bonds5

About N,N-diethyl-3-phenylselanylprop-2-enamide

N,N-diethyl-3-phenylselanylprop-2-enamide (PubChem CID 134963903) has the molecular formula C13H17NOSe and a molecular weight of 282.25 g/mol. Its IUPAC name is N,N-diethyl-3-phenylselanylprop-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-3-phenylselanylprop-2-enamide
PubChem CID134963903
Molecular FormulaC13H17NOSe
Molecular Weight282.25 g/mol
Exact Mass283.05
IUPAC NameN,N-diethyl-3-phenylselanylprop-2-enamide
SMILESCCN(CC)C(=O)C=C[Se]c1ccccc1
InChIInChI=1S/C13H17NOSe/c1-3-14(4-2)13(15)10-11-16-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyFXSPODUPQQGXAD-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-phenylselanylprop-2-enamide?
The IUPAC name of N,N-diethyl-3-phenylselanylprop-2-enamide (CID 134963903) is N,N-diethyl-3-phenylselanylprop-2-enamide.
What is the SMILES notation for N,N-diethyl-3-phenylselanylprop-2-enamide?
The canonical SMILES for N,N-diethyl-3-phenylselanylprop-2-enamide is CCN(CC)C(=O)C=C[Se]c1ccccc1.
What is the InChIKey of N,N-diethyl-3-phenylselanylprop-2-enamide?
The InChIKey is FXSPODUPQQGXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSe/c1-3-14(4-2)13(15)10-11-16-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-phenylselanylprop-2-enamide?
N,N-diethyl-3-phenylselanylprop-2-enamide has a molecular weight of 282.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-phenylselanylprop-2-enamide is sourced from PubChem (CID 134963903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).