1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one

C15H17NOSe — CID 86097338

IUPAC1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one
SMILESC=C=CCCN1C(=O)CCC1[Se]c1ccccc1
InChIInChI=1S/C15H17NOSe/c1-2-3-7-12-16-14(17)10-11-15(16)18-13-8-5-4-6-9-13/h3-6,8-9,15H,1,7,10-12H2
InChIKeyJYEAXKHZQOBGHC-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.70
Rot. Bonds5

About 1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one

1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one (PubChem CID 86097338) has the molecular formula C15H17NOSe and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one
PubChem CID86097338
Molecular FormulaC15H17NOSe
Molecular Weight306.27 g/mol
Exact Mass307.05
IUPAC Name1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one
SMILESC=C=CCCN1C(=O)CCC1[Se]c1ccccc1
InChIInChI=1S/C15H17NOSe/c1-2-3-7-12-16-14(17)10-11-15(16)18-13-8-5-4-6-9-13/h3-6,8-9,15H,1,7,10-12H2
InChIKeyJYEAXKHZQOBGHC-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.70
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-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one?
The IUPAC name of 1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one (CID 86097338) is 1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one.
What is the SMILES notation for 1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one?
The canonical SMILES for 1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one is C=C=CCCN1C(=O)CCC1[Se]c1ccccc1.
What is the InChIKey of 1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one?
The InChIKey is JYEAXKHZQOBGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOSe/c1-2-3-7-12-16-14(17)10-11-15(16)18-13-8-5-4-6-9-13/h3-6,8-9,15H,1,7,10-12H2.
What are the key properties of 1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one?
1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one has a molecular weight of 306.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-3,4-dienyl-5-phenylselanylpyrrolidin-2-one is sourced from PubChem (CID 86097338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).