(2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine

C8H16ClNO — CID 59293405

IUPAC(2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1CCCl
InChIInChI=1S/C8H16ClNO/c1-11-7-8-3-2-5-10(8)6-4-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyNBCHWTOPVNDSOH-MRVPVSSYSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds4

About (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine

(2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 59293405) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine
PubChem CID59293405
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1CCCl
InChIInChI=1S/C8H16ClNO/c1-11-7-8-3-2-5-10(8)6-4-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyNBCHWTOPVNDSOH-MRVPVSSYSA-N
XLogP1.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
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 (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine (CID 59293405) is (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine is COC[C@H]1CCCN1CCCl.
What is the InChIKey of (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is NBCHWTOPVNDSOH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-11-7-8-3-2-5-10(8)6-4-9/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine?
(2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 177.67 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 59293405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).