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

C6H10N2O — CID 63281995

IUPAC3-(3-hydroxyazetidin-1-yl)propanenitrile
SMILESN#CCCN1CC(O)C1
InChIInChI=1S/C6H10N2O/c7-2-1-3-8-4-6(9)5-8/h6,9H,1,3-5H2
InChIKeySZRNVFWGXUAHBI-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.42
Rot. Bonds2

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

3-(3-hydroxyazetidin-1-yl)propanenitrile (PubChem CID 63281995) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-(3-hydroxyazetidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-hydroxyazetidin-1-yl)propanenitrile
PubChem CID63281995
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-(3-hydroxyazetidin-1-yl)propanenitrile
SMILESN#CCCN1CC(O)C1
InChIInChI=1S/C6H10N2O/c7-2-1-3-8-4-6(9)5-8/h6,9H,1,3-5H2
InChIKeySZRNVFWGXUAHBI-UHFFFAOYSA-N
XLogP-0.42
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyazetidin-1-yl)propanenitrile?
The IUPAC name of 3-(3-hydroxyazetidin-1-yl)propanenitrile (CID 63281995) is 3-(3-hydroxyazetidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(3-hydroxyazetidin-1-yl)propanenitrile?
The canonical SMILES for 3-(3-hydroxyazetidin-1-yl)propanenitrile is N#CCCN1CC(O)C1.
What is the InChIKey of 3-(3-hydroxyazetidin-1-yl)propanenitrile?
The InChIKey is SZRNVFWGXUAHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-2-1-3-8-4-6(9)5-8/h6,9H,1,3-5H2.
What are the key properties of 3-(3-hydroxyazetidin-1-yl)propanenitrile?
3-(3-hydroxyazetidin-1-yl)propanenitrile has a molecular weight of 126.16 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyazetidin-1-yl)propanenitrile is sourced from PubChem (CID 63281995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).