4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile

C12H10N2O3 — CID 139210665

IUPAC4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile
SMILESN#CC1C(=O)NC(=O)CC1c1ccc(O)cc1
InChIInChI=1S/C12H10N2O3/c13-6-10-9(5-11(16)14-12(10)17)7-1-3-8(15)4-2-7/h1-4,9-10,15H,5H2,(H,14,16,17)
InChIKeyGLNWFCJJYIJFFQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.66
Rot. Bonds1

About 4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile

4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile (PubChem CID 139210665) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile
PubChem CID139210665
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile
SMILESN#CC1C(=O)NC(=O)CC1c1ccc(O)cc1
InChIInChI=1S/C12H10N2O3/c13-6-10-9(5-11(16)14-12(10)17)7-1-3-8(15)4-2-7/h1-4,9-10,15H,5H2,(H,14,16,17)
InChIKeyGLNWFCJJYIJFFQ-UHFFFAOYSA-N
XLogP0.66
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
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 4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile?
The IUPAC name of 4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile (CID 139210665) is 4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile?
The canonical SMILES for 4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile is N#CC1C(=O)NC(=O)CC1c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile?
The InChIKey is GLNWFCJJYIJFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-6-10-9(5-11(16)14-12(10)17)7-1-3-8(15)4-2-7/h1-4,9-10,15H,5H2,(H,14,16,17).
What are the key properties of 4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile?
4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile has a molecular weight of 230.22 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile is sourced from PubChem (CID 139210665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).