2-(3-hydroxyazetidin-1-yl)propanenitrile

C6H10N2O — CID 63281991

IUPAC2-(3-hydroxyazetidin-1-yl)propanenitrile
SMILESCC(C#N)N1CC(O)C1
InChIInChI=1S/C6H10N2O/c1-5(2-7)8-3-6(9)4-8/h5-6,9H,3-4H2,1H3
InChIKeyZJTUQZUPQRAMPM-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.43
Rot. Bonds1

About 2-(3-hydroxyazetidin-1-yl)propanenitrile

2-(3-hydroxyazetidin-1-yl)propanenitrile (PubChem CID 63281991) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)propanenitrile
PubChem CID63281991
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-(3-hydroxyazetidin-1-yl)propanenitrile
SMILESCC(C#N)N1CC(O)C1
InChIInChI=1S/C6H10N2O/c1-5(2-7)8-3-6(9)4-8/h5-6,9H,3-4H2,1H3
InChIKeyZJTUQZUPQRAMPM-UHFFFAOYSA-N
XLogP-0.43
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.43
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)propanenitrile?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)propanenitrile (CID 63281991) is 2-(3-hydroxyazetidin-1-yl)propanenitrile.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)propanenitrile?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)propanenitrile is CC(C#N)N1CC(O)C1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)propanenitrile?
The InChIKey is ZJTUQZUPQRAMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2-7)8-3-6(9)4-8/h5-6,9H,3-4H2,1H3.
What are the key properties of 2-(3-hydroxyazetidin-1-yl)propanenitrile?
2-(3-hydroxyazetidin-1-yl)propanenitrile has a molecular weight of 126.16 g/mol, XLogP of -0.43, 1 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)propanenitrile is sourced from PubChem (CID 63281991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).