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

C7H14N2 — CID 164871186

IUPAC2-(azetidin-3-yl)acetonitrile;ethane
SMILESCC.N#CCC1CNC1
InChIInChI=1S/C5H8N2.C2H6/c6-2-1-5-3-7-4-5;1-2/h5,7H,1,3-4H2;1-2H3
InChIKeyJLAPURBUPLMDAH-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.15
Rot. Bonds1

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

2-(azetidin-3-yl)acetonitrile;ethane (PubChem CID 164871186) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(azetidin-3-yl)acetonitrile;ethane.

Molecular Properties

Compound Name2-(azetidin-3-yl)acetonitrile;ethane
PubChem CID164871186
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-(azetidin-3-yl)acetonitrile;ethane
SMILESCC.N#CCC1CNC1
InChIInChI=1S/C5H8N2.C2H6/c6-2-1-5-3-7-4-5;1-2/h5,7H,1,3-4H2;1-2H3
InChIKeyJLAPURBUPLMDAH-UHFFFAOYSA-N
XLogP1.15
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.15
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;ethane?
The IUPAC name of 2-(azetidin-3-yl)acetonitrile;ethane (CID 164871186) is 2-(azetidin-3-yl)acetonitrile;ethane.
What is the SMILES notation for 2-(azetidin-3-yl)acetonitrile;ethane?
The canonical SMILES for 2-(azetidin-3-yl)acetonitrile;ethane is CC.N#CCC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)acetonitrile;ethane?
The InChIKey is JLAPURBUPLMDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c6-2-1-5-3-7-4-5;1-2/h5,7H,1,3-4H2;1-2H3.
What are the key properties of 2-(azetidin-3-yl)acetonitrile;ethane?
2-(azetidin-3-yl)acetonitrile;ethane has a molecular weight of 126.20 g/mol, XLogP of 1.15, 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;ethane is sourced from PubChem (CID 164871186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).