(3R)-3-(2-propoxyethoxy)pyrrolidine

C9H19NO2 — CID 86322695

IUPAC(3R)-3-(2-propoxyethoxy)pyrrolidine
SMILESCCCOCCO[C@@H]1CCNC1
InChIInChI=1S/C9H19NO2/c1-2-5-11-6-7-12-9-3-4-10-8-9/h9-10H,2-8H2,1H3/t9-/m1/s1
InChIKeyRZCDRMBJMUZIIP-SECBINFHSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds6

About (3R)-3-(2-propoxyethoxy)pyrrolidine

(3R)-3-(2-propoxyethoxy)pyrrolidine (PubChem CID 86322695) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R)-3-(2-propoxyethoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(2-propoxyethoxy)pyrrolidine
PubChem CID86322695
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3R)-3-(2-propoxyethoxy)pyrrolidine
SMILESCCCOCCO[C@@H]1CCNC1
InChIInChI=1S/C9H19NO2/c1-2-5-11-6-7-12-9-3-4-10-8-9/h9-10H,2-8H2,1H3/t9-/m1/s1
InChIKeyRZCDRMBJMUZIIP-SECBINFHSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-propoxypyrrolidine;hydrochloride
CID 138393556
3-(2-butoxyethoxy)piperidine
CID 55151121
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
3-ethoxypyrrolidine
CID 21333172
(3S)-3-ethoxypyrrolidine
CID 11116030
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
ethane;3-ethoxypyrrolidine
CID 142624915
3-(2-propylsulfonylethoxy)pyrrolidine
CID 106726895
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]piperidine;hydrochloride
CID 118540846
3-(2-propoxyethyl)pyrrolidine
CID 114796170
(3R)-3-(2-cyclopropylethoxy)pyrrolidine
CID 97000060
(3R)-3-(4-methylpentoxy)pyrrolidine
CID 115460364

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-propoxyethoxy)pyrrolidine?
The IUPAC name of (3R)-3-(2-propoxyethoxy)pyrrolidine (CID 86322695) is (3R)-3-(2-propoxyethoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(2-propoxyethoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(2-propoxyethoxy)pyrrolidine is CCCOCCO[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(2-propoxyethoxy)pyrrolidine?
The InChIKey is RZCDRMBJMUZIIP-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-5-11-6-7-12-9-3-4-10-8-9/h9-10H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-(2-propoxyethoxy)pyrrolidine?
(3R)-3-(2-propoxyethoxy)pyrrolidine has a molecular weight of 173.26 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-propoxyethoxy)pyrrolidine is sourced from PubChem (CID 86322695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).