2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide

C7H14N2O2 — CID 63091291

IUPAC2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(O)C1
InChIInChI=1S/C7H14N2O2/c1-8(2)7(11)5-9-3-6(10)4-9/h6,10H,3-5H2,1-2H3
InChIKeyXKUOIJLYWBONKI-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.25
Rot. Bonds2

About 2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide

2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide (PubChem CID 63091291) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide
PubChem CID63091291
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(O)C1
InChIInChI=1S/C7H14N2O2/c1-8(2)7(11)5-9-3-6(10)4-9/h6,10H,3-5H2,1-2H3
InChIKeyXKUOIJLYWBONKI-UHFFFAOYSA-N
XLogP-1.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide (CID 63091291) is 2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1CC(O)C1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is XKUOIJLYWBONKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8(2)7(11)5-9-3-6(10)4-9/h6,10H,3-5H2,1-2H3.
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide?
2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 158.20 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 63091291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).