[3-(methylamino)oxolan-3-yl]methanol;hydrochloride

C6H14ClNO2 — CID 54595157

IUPAC[3-(methylamino)oxolan-3-yl]methanol;hydrochloride
SMILESCNC1(CO)CCOC1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-7-6(4-8)2-3-9-5-6;/h7-8H,2-5H2,1H3;1H
InChIKeyJKUQJMAHLYIHKZ-UHFFFAOYSA-N
MW167.64 g/mol
LogP-0.22
Rot. Bonds2

About [3-(methylamino)oxolan-3-yl]methanol;hydrochloride

[3-(methylamino)oxolan-3-yl]methanol;hydrochloride (PubChem CID 54595157) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is [3-(methylamino)oxolan-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)oxolan-3-yl]methanol;hydrochloride
PubChem CID54595157
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name[3-(methylamino)oxolan-3-yl]methanol;hydrochloride
SMILESCNC1(CO)CCOC1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-7-6(4-8)2-3-9-5-6;/h7-8H,2-5H2,1H3;1H
InChIKeyJKUQJMAHLYIHKZ-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 [3-(methylamino)oxolan-3-yl]methanol;hydrochloride?
The IUPAC name of [3-(methylamino)oxolan-3-yl]methanol;hydrochloride (CID 54595157) is [3-(methylamino)oxolan-3-yl]methanol;hydrochloride.
What is the SMILES notation for [3-(methylamino)oxolan-3-yl]methanol;hydrochloride?
The canonical SMILES for [3-(methylamino)oxolan-3-yl]methanol;hydrochloride is CNC1(CO)CCOC1.Cl.
What is the InChIKey of [3-(methylamino)oxolan-3-yl]methanol;hydrochloride?
The InChIKey is JKUQJMAHLYIHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-7-6(4-8)2-3-9-5-6;/h7-8H,2-5H2,1H3;1H.
What are the key properties of [3-(methylamino)oxolan-3-yl]methanol;hydrochloride?
[3-(methylamino)oxolan-3-yl]methanol;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 [3-(methylamino)oxolan-3-yl]methanol;hydrochloride is sourced from PubChem (CID 54595157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).