2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

C11H20N2O2 — CID 102780602

IUPAC2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CC2CNC2)C1CO
InChIInChI=1S/C11H20N2O2/c1-8-2-3-13(10(8)7-14)11(15)4-9-5-12-6-9/h8-10,12,14H,2-7H2,1H3
InChIKeyHMOVGLOEUPYRNJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.17
Rot. Bonds3

About 2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (PubChem CID 102780602) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
PubChem CID102780602
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CC2CNC2)C1CO
InChIInChI=1S/C11H20N2O2/c1-8-2-3-13(10(8)7-14)11(15)4-9-5-12-6-9/h8-10,12,14H,2-7H2,1H3
InChIKeyHMOVGLOEUPYRNJ-UHFFFAOYSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102780606
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
5-bromo-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pentan-1-one
CID 107910725
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 102738061
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 102784452
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
1-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-2-cyclohexylethanone
CID 102787745
2-(azetidin-3-yl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634525
6-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]hexan-1-one
CID 102780522
[1-(azetidin-3-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789766
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (CID 102780602) is 2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is CC1CCN(C(=O)CC2CNC2)C1CO.
What is the InChIKey of 2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The InChIKey is HMOVGLOEUPYRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-2-3-13(10(8)7-14)11(15)4-9-5-12-6-9/h8-10,12,14H,2-7H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone has a molecular weight of 212.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102780602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).