1-[(2-phenylselanylphenyl)methyl]pyrrolidine

C17H19NSe — CID 19020994

IUPAC1-[(2-phenylselanylphenyl)methyl]pyrrolidine
SMILESc1ccc([Se]c2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C17H19NSe/c1-2-9-16(10-3-1)19-17-11-5-4-8-15(17)14-18-12-6-7-13-18/h1-5,8-11H,6-7,12-14H2
InChIKeyVJYPMUYOPZUKOJ-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.94
Rot. Bonds4

About 1-[(2-phenylselanylphenyl)methyl]pyrrolidine

1-[(2-phenylselanylphenyl)methyl]pyrrolidine (PubChem CID 19020994) has the molecular formula C17H19NSe and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-[(2-phenylselanylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-phenylselanylphenyl)methyl]pyrrolidine
PubChem CID19020994
Molecular FormulaC17H19NSe
Molecular Weight316.31 g/mol
Exact Mass317.07
IUPAC Name1-[(2-phenylselanylphenyl)methyl]pyrrolidine
SMILESc1ccc([Se]c2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C17H19NSe/c1-2-9-16(10-3-1)19-17-11-5-4-8-15(17)14-18-12-6-7-13-18/h1-5,8-11H,6-7,12-14H2
InChIKeyVJYPMUYOPZUKOJ-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-[(2-fluorophenyl)methyl]azepane;oxalic acid
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N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
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1-phenyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydrazine
CID 169384769
2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
CID 78916446
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylselanylphenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(2-phenylselanylphenyl)methyl]pyrrolidine (CID 19020994) is 1-[(2-phenylselanylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(2-phenylselanylphenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(2-phenylselanylphenyl)methyl]pyrrolidine is c1ccc([Se]c2ccccc2CN2CCCC2)cc1.
What is the InChIKey of 1-[(2-phenylselanylphenyl)methyl]pyrrolidine?
The InChIKey is VJYPMUYOPZUKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NSe/c1-2-9-16(10-3-1)19-17-11-5-4-8-15(17)14-18-12-6-7-13-18/h1-5,8-11H,6-7,12-14H2.
What are the key properties of 1-[(2-phenylselanylphenyl)methyl]pyrrolidine?
1-[(2-phenylselanylphenyl)methyl]pyrrolidine has a molecular weight of 316.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylselanylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 19020994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).