(3S)-3-ethoxypyrrolidine;hydrochloride

C6H14ClNO — CID 67731241

IUPAC(3S)-3-ethoxypyrrolidine;hydrochloride
SMILESCCO[C@H]1CCNC1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-2-8-6-3-4-7-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyVHSSBFJFGPYMNJ-RGMNGODLSA-N
MW151.64 g/mol
LogP0.81
Rot. Bonds2

About (3S)-3-ethoxypyrrolidine;hydrochloride

(3S)-3-ethoxypyrrolidine;hydrochloride (PubChem CID 67731241) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (3S)-3-ethoxypyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-ethoxypyrrolidine;hydrochloride
PubChem CID67731241
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(3S)-3-ethoxypyrrolidine;hydrochloride
SMILESCCO[C@H]1CCNC1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-2-8-6-3-4-7-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyVHSSBFJFGPYMNJ-RGMNGODLSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxypyrrolidine;hydrochloride?
The IUPAC name of (3S)-3-ethoxypyrrolidine;hydrochloride (CID 67731241) is (3S)-3-ethoxypyrrolidine;hydrochloride.
What is the SMILES notation for (3S)-3-ethoxypyrrolidine;hydrochloride?
The canonical SMILES for (3S)-3-ethoxypyrrolidine;hydrochloride is CCO[C@H]1CCNC1.Cl.
What is the InChIKey of (3S)-3-ethoxypyrrolidine;hydrochloride?
The InChIKey is VHSSBFJFGPYMNJ-RGMNGODLSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-2-8-6-3-4-7-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (3S)-3-ethoxypyrrolidine;hydrochloride?
(3S)-3-ethoxypyrrolidine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxypyrrolidine;hydrochloride is sourced from PubChem (CID 67731241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).