3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine

C11H20ClNO — CID 65165116

IUPAC3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine
SMILESClC1CCN(CCCC2CCCO2)C1
InChIInChI=1S/C11H20ClNO/c12-10-5-7-13(9-10)6-1-3-11-4-2-8-14-11/h10-11H,1-9H2
InChIKeyAACIQRBZYZECHB-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.26
Rot. Bonds4

About 3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine

3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine (PubChem CID 65165116) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine
PubChem CID65165116
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine
SMILESClC1CCN(CCCC2CCCO2)C1
InChIInChI=1S/C11H20ClNO/c12-10-5-7-13(9-10)6-1-3-11-4-2-8-14-11/h10-11H,1-9H2
InChIKeyAACIQRBZYZECHB-UHFFFAOYSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine?
The IUPAC name of 3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine (CID 65165116) is 3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine.
What is the SMILES notation for 3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine?
The canonical SMILES for 3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine is ClC1CCN(CCCC2CCCO2)C1.
What is the InChIKey of 3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine?
The InChIKey is AACIQRBZYZECHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-10-5-7-13(9-10)6-1-3-11-4-2-8-14-11/h10-11H,1-9H2.
What are the key properties of 3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine?
3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine has a molecular weight of 217.74 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[3-(oxolan-2-yl)propyl]pyrrolidine is sourced from PubChem (CID 65165116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).