2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine

C12H21NO2S — CID 175273150

IUPAC2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine
SMILESC=CC(C1CCCC1)S(=O)(=O)C1CCCN1
InChIInChI=1S/C12H21NO2S/c1-2-11(10-6-3-4-7-10)16(14,15)12-8-5-9-13-12/h2,10-13H,1,3-9H2
InChIKeyPKLIPIVBCRCKHF-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.86
Rot. Bonds4

About 2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine

2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine (PubChem CID 175273150) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine
PubChem CID175273150
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine
SMILESC=CC(C1CCCC1)S(=O)(=O)C1CCCN1
InChIInChI=1S/C12H21NO2S/c1-2-11(10-6-3-4-7-10)16(14,15)12-8-5-9-13-12/h2,10-13H,1,3-9H2
InChIKeyPKLIPIVBCRCKHF-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine?
The IUPAC name of 2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine (CID 175273150) is 2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine.
What is the SMILES notation for 2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine?
The canonical SMILES for 2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine is C=CC(C1CCCC1)S(=O)(=O)C1CCCN1.
What is the InChIKey of 2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine?
The InChIKey is PKLIPIVBCRCKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-2-11(10-6-3-4-7-10)16(14,15)12-8-5-9-13-12/h2,10-13H,1,3-9H2.
What are the key properties of 2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine?
2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine has a molecular weight of 243.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylprop-2-enylsulfonyl)pyrrolidine is sourced from PubChem (CID 175273150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).