5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride

C6H14ClNO2 — CID 122360049

IUPAC5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
SMILESCOCC1CC(O)CN1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-9-4-5-2-6(8)3-7-5;/h5-8H,2-4H2,1H3;1H
InChIKeyKNMOZBOMDXHCKW-UHFFFAOYSA-N
MW167.64 g/mol
LogP-0.22
Rot. Bonds2

About 5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride

5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 122360049) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID122360049
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
SMILESCOCC1CC(O)CN1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-9-4-5-2-6(8)3-7-5;/h5-8H,2-4H2,1H3;1H
InChIKeyKNMOZBOMDXHCKW-UHFFFAOYSA-N
XLogP-0.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride (CID 122360049) is 5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride is COCC1CC(O)CN1.Cl.
What is the InChIKey of 5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is KNMOZBOMDXHCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-9-4-5-2-6(8)3-7-5;/h5-8H,2-4H2,1H3;1H.
What are the key properties of 5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride?
5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 122360049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).