2-amino-2-(azetidin-3-yl)acetonitrile

C5H9N3 — CID 175895085

IUPAC2-amino-2-(azetidin-3-yl)acetonitrile
SMILESN#CC(N)C1CNC1
InChIInChI=1S/C5H9N3/c6-1-5(7)4-2-8-3-4/h4-5,8H,2-3,7H2
InChIKeyMBXPEZGIWJLMMB-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.94
Rot. Bonds1

About 2-amino-2-(azetidin-3-yl)acetonitrile

2-amino-2-(azetidin-3-yl)acetonitrile (PubChem CID 175895085) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2-amino-2-(azetidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(azetidin-3-yl)acetonitrile
PubChem CID175895085
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2-amino-2-(azetidin-3-yl)acetonitrile
SMILESN#CC(N)C1CNC1
InChIInChI=1S/C5H9N3/c6-1-5(7)4-2-8-3-4/h4-5,8H,2-3,7H2
InChIKeyMBXPEZGIWJLMMB-UHFFFAOYSA-N
XLogP-0.94
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(azetidin-3-yl)acetonitrile?
The IUPAC name of 2-amino-2-(azetidin-3-yl)acetonitrile (CID 175895085) is 2-amino-2-(azetidin-3-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(azetidin-3-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(azetidin-3-yl)acetonitrile is N#CC(N)C1CNC1.
What is the InChIKey of 2-amino-2-(azetidin-3-yl)acetonitrile?
The InChIKey is MBXPEZGIWJLMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-1-5(7)4-2-8-3-4/h4-5,8H,2-3,7H2.
What are the key properties of 2-amino-2-(azetidin-3-yl)acetonitrile?
2-amino-2-(azetidin-3-yl)acetonitrile has a molecular weight of 111.15 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(azetidin-3-yl)acetonitrile is sourced from PubChem (CID 175895085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).