2-(azetidin-3-yl)propanenitrile

C6H10N2 — CID 131427174

IUPAC2-(azetidin-3-yl)propanenitrile
SMILESCC(C#N)C1CNC1
InChIInChI=1S/C6H10N2/c1-5(2-7)6-3-8-4-6/h5-6,8H,3-4H2,1H3
InChIKeyKCZGLOYPNPKQHN-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.37
Rot. Bonds1

About 2-(azetidin-3-yl)propanenitrile

2-(azetidin-3-yl)propanenitrile (PubChem CID 131427174) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-(azetidin-3-yl)propanenitrile.

Molecular Properties

Compound Name2-(azetidin-3-yl)propanenitrile
PubChem CID131427174
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-(azetidin-3-yl)propanenitrile
SMILESCC(C#N)C1CNC1
InChIInChI=1S/C6H10N2/c1-5(2-7)6-3-8-4-6/h5-6,8H,3-4H2,1H3
InChIKeyKCZGLOYPNPKQHN-UHFFFAOYSA-N
XLogP0.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.37
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)propanenitrile?
The IUPAC name of 2-(azetidin-3-yl)propanenitrile (CID 131427174) is 2-(azetidin-3-yl)propanenitrile.
What is the SMILES notation for 2-(azetidin-3-yl)propanenitrile?
The canonical SMILES for 2-(azetidin-3-yl)propanenitrile is CC(C#N)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)propanenitrile?
The InChIKey is KCZGLOYPNPKQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2-7)6-3-8-4-6/h5-6,8H,3-4H2,1H3.
What are the key properties of 2-(azetidin-3-yl)propanenitrile?
2-(azetidin-3-yl)propanenitrile has a molecular weight of 110.16 g/mol, XLogP of 0.37, 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)propanenitrile is sourced from PubChem (CID 131427174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).