[(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride

C6H14ClNO — CID 118798391

IUPAC[(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
SMILESC[C@@H]1CN[C@H](CO)C1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-2-6(4-8)7-3-5;/h5-8H,2-4H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyXQUDEODBOXKGJB-GEMLJDPKSA-N
MW151.64 g/mol
LogP0.40
Rot. Bonds1

About [(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride

[(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 118798391) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is [(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
PubChem CID118798391
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name[(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
SMILESC[C@@H]1CN[C@H](CO)C1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-2-6(4-8)7-3-5;/h5-8H,2-4H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyXQUDEODBOXKGJB-GEMLJDPKSA-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 [(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride (CID 118798391) is [(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride is C[C@@H]1CN[C@H](CO)C1.Cl.
What is the InChIKey of [(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is XQUDEODBOXKGJB-GEMLJDPKSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-5-2-6(4-8)7-3-5;/h5-8H,2-4H2,1H3;1H/t5-,6-;/m0./s1.
What are the key properties of [(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride?
[(2S,4S)-4-methylpyrrolidin-2-yl]methanol;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 [(2S,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 118798391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).