1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one

C14H15NOSe — CID 86097856

IUPAC1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one
SMILESC=C=CCN1C(=O)CCC1[Se]c1ccccc1
InChIInChI=1S/C14H15NOSe/c1-2-3-11-15-13(16)9-10-14(15)17-12-7-5-4-6-8-12/h3-8,14H,1,9-11H2
InChIKeyKNLXZARPLBGLPO-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.31
Rot. Bonds4

About 1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one

1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one (PubChem CID 86097856) has the molecular formula C14H15NOSe and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one
PubChem CID86097856
Molecular FormulaC14H15NOSe
Molecular Weight292.24 g/mol
Exact Mass293.03
IUPAC Name1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one
SMILESC=C=CCN1C(=O)CCC1[Se]c1ccccc1
InChIInChI=1S/C14H15NOSe/c1-2-3-11-15-13(16)9-10-14(15)17-12-7-5-4-6-8-12/h3-8,14H,1,9-11H2
InChIKeyKNLXZARPLBGLPO-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one?
The IUPAC name of 1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one (CID 86097856) is 1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one.
What is the SMILES notation for 1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one?
The canonical SMILES for 1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one is C=C=CCN1C(=O)CCC1[Se]c1ccccc1.
What is the InChIKey of 1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one?
The InChIKey is KNLXZARPLBGLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOSe/c1-2-3-11-15-13(16)9-10-14(15)17-12-7-5-4-6-8-12/h3-8,14H,1,9-11H2.
What are the key properties of 1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one?
1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one has a molecular weight of 292.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one is sourced from PubChem (CID 86097856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).