2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile

C13H16N2O2 — CID 3821373

IUPAC2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile
SMILESCOc1cccc(C(C#N)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O2/c1-16-12-4-2-3-11(9-12)13(10-14)15-5-7-17-8-6-15/h2-4,9,13H,5-8H2,1H3
InChIKeyFGYIFPNWPBUVLI-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.59
Rot. Bonds3

About 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile

2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 3821373) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile
PubChem CID3821373
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile
SMILESCOc1cccc(C(C#N)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O2/c1-16-12-4-2-3-11(9-12)13(10-14)15-5-7-17-8-6-15/h2-4,9,13H,5-8H2,1H3
InChIKeyFGYIFPNWPBUVLI-UHFFFAOYSA-N
XLogP1.59
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile (CID 3821373) is 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile is COc1cccc(C(C#N)N2CCOCC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is FGYIFPNWPBUVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-12-4-2-3-11(9-12)13(10-14)15-5-7-17-8-6-15/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile?
2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 232.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 3821373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).