2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile

C16H18N2O3 — CID 79497204

IUPAC2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile
SMILESCC1CC(=O)N(CCOc2ccc(CC#N)cc2)C(=O)C1
InChIInChI=1S/C16H18N2O3/c1-12-10-15(19)18(16(20)11-12)8-9-21-14-4-2-13(3-5-14)6-7-17/h2-5,12H,6,8-11H2,1H3
InChIKeyHIFWXMHAOFYRPG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.92
Rot. Bonds5

About 2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile

2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile (PubChem CID 79497204) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile
PubChem CID79497204
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile
SMILESCC1CC(=O)N(CCOc2ccc(CC#N)cc2)C(=O)C1
InChIInChI=1S/C16H18N2O3/c1-12-10-15(19)18(16(20)11-12)8-9-21-14-4-2-13(3-5-14)6-7-17/h2-5,12H,6,8-11H2,1H3
InChIKeyHIFWXMHAOFYRPG-UHFFFAOYSA-N
XLogP1.92
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile (CID 79497204) is 2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile is CC1CC(=O)N(CCOc2ccc(CC#N)cc2)C(=O)C1.
What is the InChIKey of 2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile?
The InChIKey is HIFWXMHAOFYRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-10-15(19)18(16(20)11-12)8-9-21-14-4-2-13(3-5-14)6-7-17/h2-5,12H,6,8-11H2,1H3.
What are the key properties of 2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile?
2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile has a molecular weight of 286.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 79497204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).