3-(2-methoxyethylamino)oxolane-3-carbonitrile

C8H14N2O2 — CID 63335677

IUPAC3-(2-methoxyethylamino)oxolane-3-carbonitrile
SMILESCOCCNC1(C#N)CCOC1
InChIInChI=1S/C8H14N2O2/c1-11-5-3-10-8(6-9)2-4-12-7-8/h10H,2-5,7H2,1H3
InChIKeyCQXLEYPXUSDZMG-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.09
Rot. Bonds4

About 3-(2-methoxyethylamino)oxolane-3-carbonitrile

3-(2-methoxyethylamino)oxolane-3-carbonitrile (PubChem CID 63335677) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(2-methoxyethylamino)oxolane-3-carbonitrile
PubChem CID63335677
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(2-methoxyethylamino)oxolane-3-carbonitrile
SMILESCOCCNC1(C#N)CCOC1
InChIInChI=1S/C8H14N2O2/c1-11-5-3-10-8(6-9)2-4-12-7-8/h10H,2-5,7H2,1H3
InChIKeyCQXLEYPXUSDZMG-UHFFFAOYSA-N
XLogP-0.09
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)oxolane-3-carbonitrile?
The IUPAC name of 3-(2-methoxyethylamino)oxolane-3-carbonitrile (CID 63335677) is 3-(2-methoxyethylamino)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(2-methoxyethylamino)oxolane-3-carbonitrile?
The canonical SMILES for 3-(2-methoxyethylamino)oxolane-3-carbonitrile is COCCNC1(C#N)CCOC1.
What is the InChIKey of 3-(2-methoxyethylamino)oxolane-3-carbonitrile?
The InChIKey is CQXLEYPXUSDZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-11-5-3-10-8(6-9)2-4-12-7-8/h10H,2-5,7H2,1H3.
What are the key properties of 3-(2-methoxyethylamino)oxolane-3-carbonitrile?
3-(2-methoxyethylamino)oxolane-3-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)oxolane-3-carbonitrile is sourced from PubChem (CID 63335677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).