5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one

C14H15NOSe — CID 14744507

IUPAC5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one
SMILESC#CCN1C(=O)CCC1C[Se]c1ccccc1
InChIInChI=1S/C14H15NOSe/c1-2-10-15-12(8-9-14(15)16)11-17-13-6-4-3-5-7-13/h1,3-7,12H,8-11H2
InChIKeyPMCKIIDGFGIGIS-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.06
Rot. Bonds4

About 5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one

5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one (PubChem CID 14744507) has the molecular formula C14H15NOSe and a molecular weight of 292.24 g/mol. Its IUPAC name is 5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one
PubChem CID14744507
Molecular FormulaC14H15NOSe
Molecular Weight292.24 g/mol
Exact Mass293.03
IUPAC Name5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one
SMILESC#CCN1C(=O)CCC1C[Se]c1ccccc1
InChIInChI=1S/C14H15NOSe/c1-2-10-15-12(8-9-14(15)16)11-17-13-6-4-3-5-7-13/h1,3-7,12H,8-11H2
InChIKeyPMCKIIDGFGIGIS-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one?
The IUPAC name of 5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one (CID 14744507) is 5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one.
What is the SMILES notation for 5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one?
The canonical SMILES for 5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one is C#CCN1C(=O)CCC1C[Se]c1ccccc1.
What is the InChIKey of 5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one?
The InChIKey is PMCKIIDGFGIGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOSe/c1-2-10-15-12(8-9-14(15)16)11-17-13-6-4-3-5-7-13/h1,3-7,12H,8-11H2.
What are the key properties of 5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one?
5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one has a molecular weight of 292.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylselanylmethyl)-1-prop-2-ynylpyrrolidin-2-one is sourced from PubChem (CID 14744507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).