1-butyl-2-(phenylselanylmethyl)pyrrolidine

C15H23NSe — CID 14569987

IUPAC1-butyl-2-(phenylselanylmethyl)pyrrolidine
SMILESCCCCN1CCCC1C[Se]c1ccccc1
InChIInChI=1S/C15H23NSe/c1-2-3-11-16-12-7-8-14(16)13-17-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3
InChIKeyWNSQSCHPZNGPOF-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.70
Rot. Bonds6

About 1-butyl-2-(phenylselanylmethyl)pyrrolidine

1-butyl-2-(phenylselanylmethyl)pyrrolidine (PubChem CID 14569987) has the molecular formula C15H23NSe and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-butyl-2-(phenylselanylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-butyl-2-(phenylselanylmethyl)pyrrolidine
PubChem CID14569987
Molecular FormulaC15H23NSe
Molecular Weight296.32 g/mol
Exact Mass297.10
IUPAC Name1-butyl-2-(phenylselanylmethyl)pyrrolidine
SMILESCCCCN1CCCC1C[Se]c1ccccc1
InChIInChI=1S/C15H23NSe/c1-2-3-11-16-12-7-8-14(16)13-17-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3
InChIKeyWNSQSCHPZNGPOF-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(phenylselanylmethyl)pyrrolidine?
The IUPAC name of 1-butyl-2-(phenylselanylmethyl)pyrrolidine (CID 14569987) is 1-butyl-2-(phenylselanylmethyl)pyrrolidine.
What is the SMILES notation for 1-butyl-2-(phenylselanylmethyl)pyrrolidine?
The canonical SMILES for 1-butyl-2-(phenylselanylmethyl)pyrrolidine is CCCCN1CCCC1C[Se]c1ccccc1.
What is the InChIKey of 1-butyl-2-(phenylselanylmethyl)pyrrolidine?
The InChIKey is WNSQSCHPZNGPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NSe/c1-2-3-11-16-12-7-8-14(16)13-17-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3.
What are the key properties of 1-butyl-2-(phenylselanylmethyl)pyrrolidine?
1-butyl-2-(phenylselanylmethyl)pyrrolidine has a molecular weight of 296.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(phenylselanylmethyl)pyrrolidine is sourced from PubChem (CID 14569987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).