2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile

C15H16N2O3 — CID 60975924

IUPAC2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile
SMILESCC1(C)CC(=O)N(c2ccc(OCC#N)cc2)C(=O)C1
InChIInChI=1S/C15H16N2O3/c1-15(2)9-13(18)17(14(19)10-15)11-3-5-12(6-4-11)20-8-7-16/h3-6H,8-10H2,1-2H3
InChIKeyQWYUCXPYQAHSCV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.27
Rot. Bonds3

About 2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile

2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile (PubChem CID 60975924) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile
PubChem CID60975924
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile
SMILESCC1(C)CC(=O)N(c2ccc(OCC#N)cc2)C(=O)C1
InChIInChI=1S/C15H16N2O3/c1-15(2)9-13(18)17(14(19)10-15)11-3-5-12(6-4-11)20-8-7-16/h3-6H,8-10H2,1-2H3
InChIKeyQWYUCXPYQAHSCV-UHFFFAOYSA-N
XLogP2.27
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.27
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-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile?
The IUPAC name of 2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile (CID 60975924) is 2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile?
The canonical SMILES for 2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile is CC1(C)CC(=O)N(c2ccc(OCC#N)cc2)C(=O)C1.
What is the InChIKey of 2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile?
The InChIKey is QWYUCXPYQAHSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(2)9-13(18)17(14(19)10-15)11-3-5-12(6-4-11)20-8-7-16/h3-6H,8-10H2,1-2H3.
What are the key properties of 2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile?
2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile has a molecular weight of 272.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)phenoxy]acetonitrile is sourced from PubChem (CID 60975924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).