2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone

C12H19NSe — CID 102341993

IUPAC2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
SMILESC=CCC(CC=C)C(=[Se])N1CCCC1
InChIInChI=1S/C12H19NSe/c1-3-7-11(8-4-2)12(14)13-9-5-6-10-13/h3-4,11H,1-2,5-10H2
InChIKeyOMZGKPVSMZNLEX-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.15
Rot. Bonds6

About 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone

2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone (PubChem CID 102341993) has the molecular formula C12H19NSe and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone.

Molecular Properties

Compound Name2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
PubChem CID102341993
Molecular FormulaC12H19NSe
Molecular Weight256.25 g/mol
Exact Mass257.07
IUPAC Name2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
SMILESC=CCC(CC=C)C(=[Se])N1CCCC1
InChIInChI=1S/C12H19NSe/c1-3-7-11(8-4-2)12(14)13-9-5-6-10-13/h3-4,11H,1-2,5-10H2
InChIKeyOMZGKPVSMZNLEX-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone 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 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The IUPAC name of 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone (CID 102341993) is 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone.
What is the SMILES notation for 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The canonical SMILES for 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone is C=CCC(CC=C)C(=[Se])N1CCCC1.
What is the InChIKey of 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The InChIKey is OMZGKPVSMZNLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NSe/c1-3-7-11(8-4-2)12(14)13-9-5-6-10-13/h3-4,11H,1-2,5-10H2.
What are the key properties of 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone has a molecular weight of 256.25 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone is sourced from PubChem (CID 102341993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).