(3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride

C8H18ClNO2 — CID 71756910

IUPAC(3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride
SMILESCCOCCO[C@H]1CCNC1.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-2-10-5-6-11-8-3-4-9-7-8;/h8-9H,2-7H2,1H3;1H/t8-;/m0./s1
InChIKeyXBYJWDZOXOZUAO-QRPNPIFTSA-N
MW195.69 g/mol
LogP0.82
Rot. Bonds5

About (3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride

(3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride (PubChem CID 71756910) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is (3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride
PubChem CID71756910
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name(3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride
SMILESCCOCCO[C@H]1CCNC1.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-2-10-5-6-11-8-3-4-9-7-8;/h8-9H,2-7H2,1H3;1H/t8-;/m0./s1
InChIKeyXBYJWDZOXOZUAO-QRPNPIFTSA-N
XLogP0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride?
The IUPAC name of (3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride (CID 71756910) is (3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for (3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride?
The canonical SMILES for (3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride is CCOCCO[C@H]1CCNC1.Cl.
What is the InChIKey of (3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride?
The InChIKey is XBYJWDZOXOZUAO-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-2-10-5-6-11-8-3-4-9-7-8;/h8-9H,2-7H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride?
(3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-ethoxyethoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 71756910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).