[4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol

C6H13NO2 — CID 58400635

IUPAC[4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol
SMILESCN1C(CO)CC1CO
InChIInChI=1S/C6H13NO2/c1-7-5(3-8)2-6(7)4-9/h5-6,8-9H,2-4H2,1H3
InChIKeyIFBWTJHXXDFPRV-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.96
Rot. Bonds2

About [4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol

[4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol (PubChem CID 58400635) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol
PubChem CID58400635
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name[4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol
SMILESCN1C(CO)CC1CO
InChIInChI=1S/C6H13NO2/c1-7-5(3-8)2-6(7)4-9/h5-6,8-9H,2-4H2,1H3
InChIKeyIFBWTJHXXDFPRV-UHFFFAOYSA-N
XLogP-0.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol (CID 58400635) is [4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol is CN1C(CO)CC1CO.
What is the InChIKey of [4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol?
The InChIKey is IFBWTJHXXDFPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-5(3-8)2-6(7)4-9/h5-6,8-9H,2-4H2,1H3.
What are the key properties of [4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol?
[4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol has a molecular weight of 131.18 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1-methylazetidin-2-yl]methanol is sourced from PubChem (CID 58400635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).