2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone

C10H17NSe — CID 15416001

IUPAC2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
SMILESC=CCC(C)C(=[Se])N1CCCC1
InChIInChI=1S/C10H17NSe/c1-3-6-9(2)10(12)11-7-4-5-8-11/h3,9H,1,4-8H2,2H3
InChIKeyXOZSFLBBEGHNFZ-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.59
Rot. Bonds4

About 2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone

2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone (PubChem CID 15416001) has the molecular formula C10H17NSe and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
PubChem CID15416001
Molecular FormulaC10H17NSe
Molecular Weight230.21 g/mol
Exact Mass231.05
IUPAC Name2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
SMILESC=CCC(C)C(=[Se])N1CCCC1
InChIInChI=1S/C10H17NSe/c1-3-6-9(2)10(12)11-7-4-5-8-11/h3,9H,1,4-8H2,2H3
InChIKeyXOZSFLBBEGHNFZ-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.59
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-methyl-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-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The IUPAC name of 2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone (CID 15416001) is 2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone.
What is the SMILES notation for 2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The canonical SMILES for 2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone is C=CCC(C)C(=[Se])N1CCCC1.
What is the InChIKey of 2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The InChIKey is XOZSFLBBEGHNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NSe/c1-3-6-9(2)10(12)11-7-4-5-8-11/h3,9H,1,4-8H2,2H3.
What are the key properties of 2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone has a molecular weight of 230.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-1-ylpent-4-ene-1-selone is sourced from PubChem (CID 15416001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).