2-(azetidin-3-yl)acetonitrile

C5H8N2 — CID 67451737

IUPAC2-(azetidin-3-yl)acetonitrile
SMILESN#CCC1CNC1
InChIInChI=1S/C5H8N2/c6-2-1-5-3-7-4-5/h5,7H,1,3-4H2
InChIKeyDAKLTKIALMRNMH-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.12
Rot. Bonds1

About 2-(azetidin-3-yl)acetonitrile

2-(azetidin-3-yl)acetonitrile (PubChem CID 67451737) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-(azetidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(azetidin-3-yl)acetonitrile
PubChem CID67451737
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-(azetidin-3-yl)acetonitrile
SMILESN#CCC1CNC1
InChIInChI=1S/C5H8N2/c6-2-1-5-3-7-4-5/h5,7H,1,3-4H2
InChIKeyDAKLTKIALMRNMH-UHFFFAOYSA-N
XLogP0.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)acetonitrile?
The IUPAC name of 2-(azetidin-3-yl)acetonitrile (CID 67451737) is 2-(azetidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(azetidin-3-yl)acetonitrile?
The canonical SMILES for 2-(azetidin-3-yl)acetonitrile is N#CCC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)acetonitrile?
The InChIKey is DAKLTKIALMRNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-2-1-5-3-7-4-5/h5,7H,1,3-4H2.
What are the key properties of 2-(azetidin-3-yl)acetonitrile?
2-(azetidin-3-yl)acetonitrile has a molecular weight of 96.13 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)acetonitrile is sourced from PubChem (CID 67451737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).