2-(azetidin-3-yl)acetonitrile;dihydrochloride

C5H10Cl2N2 — CID 162299627

IUPAC2-(azetidin-3-yl)acetonitrile;dihydrochloride
SMILESCl.Cl.N#CCC1CNC1
InChIInChI=1S/C5H8N2.2ClH/c6-2-1-5-3-7-4-5;;/h5,7H,1,3-4H2;2*1H
InChIKeySFVQHWNACFMZLO-UHFFFAOYSA-N
MW169.05 g/mol
LogP0.96
Rot. Bonds1

About 2-(azetidin-3-yl)acetonitrile;dihydrochloride

2-(azetidin-3-yl)acetonitrile;dihydrochloride (PubChem CID 162299627) has the molecular formula C5H10Cl2N2 and a molecular weight of 169.05 g/mol. Its IUPAC name is 2-(azetidin-3-yl)acetonitrile;dihydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)acetonitrile;dihydrochloride
PubChem CID162299627
Molecular FormulaC5H10Cl2N2
Molecular Weight169.05 g/mol
Exact Mass168.02
IUPAC Name2-(azetidin-3-yl)acetonitrile;dihydrochloride
SMILESCl.Cl.N#CCC1CNC1
InChIInChI=1S/C5H8N2.2ClH/c6-2-1-5-3-7-4-5;;/h5,7H,1,3-4H2;2*1H
InChIKeySFVQHWNACFMZLO-UHFFFAOYSA-N
XLogP0.96
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 50.96
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;dihydrochloride?
The IUPAC name of 2-(azetidin-3-yl)acetonitrile;dihydrochloride (CID 162299627) is 2-(azetidin-3-yl)acetonitrile;dihydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)acetonitrile;dihydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)acetonitrile;dihydrochloride is Cl.Cl.N#CCC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)acetonitrile;dihydrochloride?
The InChIKey is SFVQHWNACFMZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.2ClH/c6-2-1-5-3-7-4-5;;/h5,7H,1,3-4H2;2*1H.
What are the key properties of 2-(azetidin-3-yl)acetonitrile;dihydrochloride?
2-(azetidin-3-yl)acetonitrile;dihydrochloride has a molecular weight of 169.05 g/mol, XLogP of 0.96, 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;dihydrochloride is sourced from PubChem (CID 162299627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).