2-(2-cyclopropylmorpholin-4-yl)acetonitrile

C9H14N2O — CID 126990253

IUPAC2-(2-cyclopropylmorpholin-4-yl)acetonitrile
SMILESN#CCN1CCOC(C2CC2)C1
InChIInChI=1S/C9H14N2O/c10-3-4-11-5-6-12-9(7-11)8-1-2-8/h8-9H,1-2,4-7H2
InChIKeyQDVSFPWYWALRGG-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.62
Rot. Bonds2

About 2-(2-cyclopropylmorpholin-4-yl)acetonitrile

2-(2-cyclopropylmorpholin-4-yl)acetonitrile (PubChem CID 126990253) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2-cyclopropylmorpholin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-cyclopropylmorpholin-4-yl)acetonitrile
PubChem CID126990253
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(2-cyclopropylmorpholin-4-yl)acetonitrile
SMILESN#CCN1CCOC(C2CC2)C1
InChIInChI=1S/C9H14N2O/c10-3-4-11-5-6-12-9(7-11)8-1-2-8/h8-9H,1-2,4-7H2
InChIKeyQDVSFPWYWALRGG-UHFFFAOYSA-N
XLogP0.62
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.62
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-(2-cyclopropylmorpholin-4-yl)acetonitrile?
The IUPAC name of 2-(2-cyclopropylmorpholin-4-yl)acetonitrile (CID 126990253) is 2-(2-cyclopropylmorpholin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-cyclopropylmorpholin-4-yl)acetonitrile?
The canonical SMILES for 2-(2-cyclopropylmorpholin-4-yl)acetonitrile is N#CCN1CCOC(C2CC2)C1.
What is the InChIKey of 2-(2-cyclopropylmorpholin-4-yl)acetonitrile?
The InChIKey is QDVSFPWYWALRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-3-4-11-5-6-12-9(7-11)8-1-2-8/h8-9H,1-2,4-7H2.
What are the key properties of 2-(2-cyclopropylmorpholin-4-yl)acetonitrile?
2-(2-cyclopropylmorpholin-4-yl)acetonitrile has a molecular weight of 166.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylmorpholin-4-yl)acetonitrile is sourced from PubChem (CID 126990253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).