(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride

C6H14ClNO — CID 90897311

IUPAC(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride
SMILESCC[C@H]1CNC[C@H]1O.Cl
InChIInChI=1S/C6H13NO.ClH/c1-2-5-3-7-4-6(5)8;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyJLSSXKKIWFXWBJ-RIHPBJNCSA-N
MW151.64 g/mol
LogP0.40
Rot. Bonds1

About (3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride

(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride (PubChem CID 90897311) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride
PubChem CID90897311
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride
SMILESCC[C@H]1CNC[C@H]1O.Cl
InChIInChI=1S/C6H13NO.ClH/c1-2-5-3-7-4-6(5)8;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyJLSSXKKIWFXWBJ-RIHPBJNCSA-N
XLogP0.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride (CID 90897311) is (3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride is CC[C@H]1CNC[C@H]1O.Cl.
What is the InChIKey of (3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride?
The InChIKey is JLSSXKKIWFXWBJ-RIHPBJNCSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-2-5-3-7-4-6(5)8;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m0./s1.
What are the key properties of (3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride?
(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 90897311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).