4-propan-2-ylmorpholine-2-carbonitrile

C8H14N2O — CID 58507921

IUPAC4-propan-2-ylmorpholine-2-carbonitrile
SMILESCC(C)N1CCOC(C#N)C1
InChIInChI=1S/C8H14N2O/c1-7(2)10-3-4-11-8(5-9)6-10/h7-8H,3-4,6H2,1-2H3
InChIKeyGNHVUDKGFDMNNR-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.62
Rot. Bonds1

About 4-propan-2-ylmorpholine-2-carbonitrile

4-propan-2-ylmorpholine-2-carbonitrile (PubChem CID 58507921) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-propan-2-ylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-propan-2-ylmorpholine-2-carbonitrile
PubChem CID58507921
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-propan-2-ylmorpholine-2-carbonitrile
SMILESCC(C)N1CCOC(C#N)C1
InChIInChI=1S/C8H14N2O/c1-7(2)10-3-4-11-8(5-9)6-10/h7-8H,3-4,6H2,1-2H3
InChIKeyGNHVUDKGFDMNNR-UHFFFAOYSA-N
XLogP0.62
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylmorpholine-2-carbonitrile?
The IUPAC name of 4-propan-2-ylmorpholine-2-carbonitrile (CID 58507921) is 4-propan-2-ylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-propan-2-ylmorpholine-2-carbonitrile?
The canonical SMILES for 4-propan-2-ylmorpholine-2-carbonitrile is CC(C)N1CCOC(C#N)C1.
What is the InChIKey of 4-propan-2-ylmorpholine-2-carbonitrile?
The InChIKey is GNHVUDKGFDMNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)10-3-4-11-8(5-9)6-10/h7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-propan-2-ylmorpholine-2-carbonitrile?
4-propan-2-ylmorpholine-2-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylmorpholine-2-carbonitrile is sourced from PubChem (CID 58507921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).