phenyl(pyrrolidin-1-yl)methaneselone

C11H13NSe — CID 11149100

IUPACphenyl(pyrrolidin-1-yl)methaneselone
SMILES[Se]=C(c1ccccc1)N1CCCC1
InChIInChI=1S/C11H13NSe/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyJRMYZYPVBCOQLW-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.43
Rot. Bonds2

About phenyl(pyrrolidin-1-yl)methaneselone

phenyl(pyrrolidin-1-yl)methaneselone (PubChem CID 11149100) has the molecular formula C11H13NSe and a molecular weight of 238.19 g/mol. Its IUPAC name is phenyl(pyrrolidin-1-yl)methaneselone.

Molecular Properties

Compound Namephenyl(pyrrolidin-1-yl)methaneselone
PubChem CID11149100
Molecular FormulaC11H13NSe
Molecular Weight238.19 g/mol
Exact Mass239.02
IUPAC Namephenyl(pyrrolidin-1-yl)methaneselone
SMILES[Se]=C(c1ccccc1)N1CCCC1
InChIInChI=1S/C11H13NSe/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyJRMYZYPVBCOQLW-UHFFFAOYSA-N
XLogP1.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze phenyl(pyrrolidin-1-yl)methaneselone 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 phenyl(pyrrolidin-1-yl)methaneselone?
The IUPAC name of phenyl(pyrrolidin-1-yl)methaneselone (CID 11149100) is phenyl(pyrrolidin-1-yl)methaneselone.
What is the SMILES notation for phenyl(pyrrolidin-1-yl)methaneselone?
The canonical SMILES for phenyl(pyrrolidin-1-yl)methaneselone is [Se]=C(c1ccccc1)N1CCCC1.
What is the InChIKey of phenyl(pyrrolidin-1-yl)methaneselone?
The InChIKey is JRMYZYPVBCOQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NSe/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of phenyl(pyrrolidin-1-yl)methaneselone?
phenyl(pyrrolidin-1-yl)methaneselone has a molecular weight of 238.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyrrolidin-1-yl)methaneselone is sourced from PubChem (CID 11149100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).