(3S)-pyrrolidin-3-ol;hydrochloride

C4H10ClNO — CID 22309122

IUPAC(3S)-pyrrolidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CCNC1
InChIInChI=1S/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/m0./s1
InChIKeyQPMSJEFZULFYTB-WCCKRBBISA-N
MW123.58 g/mol
LogP-0.24
Rot. Bonds

About (3S)-pyrrolidin-3-ol;hydrochloride

(3S)-pyrrolidin-3-ol;hydrochloride (PubChem CID 22309122) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is (3S)-pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-pyrrolidin-3-ol;hydrochloride
PubChem CID22309122
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name(3S)-pyrrolidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CCNC1
InChIInChI=1S/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/m0./s1
InChIKeyQPMSJEFZULFYTB-WCCKRBBISA-N
XLogP-0.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-pyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3S)-pyrrolidin-3-ol;hydrochloride (CID 22309122) is (3S)-pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3S)-pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3S)-pyrrolidin-3-ol;hydrochloride is Cl.O[C@H]1CCNC1.
What is the InChIKey of (3S)-pyrrolidin-3-ol;hydrochloride?
The InChIKey is QPMSJEFZULFYTB-WCCKRBBISA-N. The full InChI is InChI=1S/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/m0./s1.
What are the key properties of (3S)-pyrrolidin-3-ol;hydrochloride?
(3S)-pyrrolidin-3-ol;hydrochloride has a molecular weight of 123.58 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 22309122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).