2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile

C7H10N2O2 — CID 20794218

IUPAC2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile
SMILESCC1CN(CC#N)C(=O)CO1
InChIInChI=1S/C7H10N2O2/c1-6-4-9(3-2-8)7(10)5-11-6/h6H,3-5H2,1H3
InChIKeyBEBOAXIUFXJTFD-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.24
Rot. Bonds1

About 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile

2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile (PubChem CID 20794218) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile
PubChem CID20794218
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile
SMILESCC1CN(CC#N)C(=O)CO1
InChIInChI=1S/C7H10N2O2/c1-6-4-9(3-2-8)7(10)5-11-6/h6H,3-5H2,1H3
InChIKeyBEBOAXIUFXJTFD-UHFFFAOYSA-N
XLogP-0.24
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile?
The IUPAC name of 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile (CID 20794218) is 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile?
The canonical SMILES for 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile is CC1CN(CC#N)C(=O)CO1.
What is the InChIKey of 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile?
The InChIKey is BEBOAXIUFXJTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6-4-9(3-2-8)7(10)5-11-6/h6H,3-5H2,1H3.
What are the key properties of 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile?
2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile has a molecular weight of 154.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-oxomorpholin-4-yl)acetonitrile is sourced from PubChem (CID 20794218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).