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

C5H8N2O — CID 53403600

IUPAC2-(3-hydroxyazetidin-1-yl)acetonitrile
SMILESN#CCN1CC(O)C1
InChIInChI=1S/C5H8N2O/c6-1-2-7-3-5(8)4-7/h5,8H,2-4H2
InChIKeyIWJFCDKYTMGNDB-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.81
Rot. Bonds1

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

2-(3-hydroxyazetidin-1-yl)acetonitrile (PubChem CID 53403600) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)acetonitrile
PubChem CID53403600
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-(3-hydroxyazetidin-1-yl)acetonitrile
SMILESN#CCN1CC(O)C1
InChIInChI=1S/C5H8N2O/c6-1-2-7-3-5(8)4-7/h5,8H,2-4H2
InChIKeyIWJFCDKYTMGNDB-UHFFFAOYSA-N
XLogP-0.81
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxyazetidine-1-carbonitrile
CID 9942126
1-Methylazetidin-3-ol
CID 13813927
1-Ethylazetidin-3-ol
CID 13813928
1-Propylazetidin-3-ol
CID 54349132
2-(Azetidin-1-yl)ethan-1-ol
CID 54569113
1,1-Diethylazetidin-1-ium-3-ol
CID 11389598
1-Butylazetidin-3-ol
CID 12982481
1-(2-Fluoroethyl)azetidin-3-ol
CID 80698157
1-(3-Fluoropropyl)azetidin-3-ol
CID 81113802
3-(Diethylamino)-2-hydroxypropanenitrile
CID 24839888
1-(Azetidin-1-yl)-3-fluoropropan-2-ol
CID 130909677
1-(2-Hydroxyethyl)azetidin-3-ol
CID 11182600

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)acetonitrile?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)acetonitrile (CID 53403600) is 2-(3-hydroxyazetidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)acetonitrile is N#CCN1CC(O)C1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)acetonitrile?
The InChIKey is IWJFCDKYTMGNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-1-2-7-3-5(8)4-7/h5,8H,2-4H2.
What are the key properties of 2-(3-hydroxyazetidin-1-yl)acetonitrile?
2-(3-hydroxyazetidin-1-yl)acetonitrile has a molecular weight of 112.13 g/mol, XLogP of -0.81, 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)acetonitrile is sourced from PubChem (CID 53403600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).