2-morpholin-4-ylacetonitrile

C6H10N2O — CID 22055

IUPAC2-morpholin-4-ylacetonitrile
SMILESN#CCN1CCOCC1
InChIInChI=1S/C6H10N2O/c7-1-2-8-3-5-9-6-4-8/h2-6H2
InChIKeyOOSOCAXREAGIGA-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.16
Rot. Bonds1

About 2-morpholin-4-ylacetonitrile

2-morpholin-4-ylacetonitrile (PubChem CID 22055) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-morpholin-4-ylacetonitrile
PubChem CID22055
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-morpholin-4-ylacetonitrile
SMILESN#CCN1CCOCC1
InChIInChI=1S/C6H10N2O/c7-1-2-8-3-5-9-6-4-8/h2-6H2
InChIKeyOOSOCAXREAGIGA-UHFFFAOYSA-N
XLogP-0.16
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-morpholin-4-ylacetonitrile (CID 22055) is 2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-morpholin-4-ylacetonitrile is N#CCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylacetonitrile?
The InChIKey is OOSOCAXREAGIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-1-2-8-3-5-9-6-4-8/h2-6H2.
What are the key properties of 2-morpholin-4-ylacetonitrile?
2-morpholin-4-ylacetonitrile has a molecular weight of 126.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 22055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).