4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

C14H11N3O3 — CID 22621530

IUPAC4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1(c2ccc(O)cc2)C(C#N)C(=O)NC(=O)C1C#N
InChIInChI=1S/C14H11N3O3/c1-14(8-2-4-9(18)5-3-8)10(6-15)12(19)17-13(20)11(14)7-16/h2-5,10-11,18H,1H3,(H,17,19,20)
InChIKeySGGRZEMPLTUXHD-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.59
Rot. Bonds1

About 4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile (PubChem CID 22621530) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
PubChem CID22621530
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1(c2ccc(O)cc2)C(C#N)C(=O)NC(=O)C1C#N
InChIInChI=1S/C14H11N3O3/c1-14(8-2-4-9(18)5-3-8)10(6-15)12(19)17-13(20)11(14)7-16/h2-5,10-11,18H,1H3,(H,17,19,20)
InChIKeySGGRZEMPLTUXHD-UHFFFAOYSA-N
XLogP0.59
TPSA113.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The IUPAC name of 4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile (CID 22621530) is 4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The canonical SMILES for 4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile is CC1(c2ccc(O)cc2)C(C#N)C(=O)NC(=O)C1C#N.
What is the InChIKey of 4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The InChIKey is SGGRZEMPLTUXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-14(8-2-4-9(18)5-3-8)10(6-15)12(19)17-13(20)11(14)7-16/h2-5,10-11,18H,1H3,(H,17,19,20).
What are the key properties of 4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile has a molecular weight of 269.26 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile is sourced from PubChem (CID 22621530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).