(3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile

C9H9N3O2 — CID 86309063

IUPAC(3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1(C)[C@@H](C#N)C(=O)NC(=O)[C@@H]1C#N
InChIInChI=1S/C9H9N3O2/c1-9(2)5(3-10)7(13)12-8(14)6(9)4-11/h5-6H,1-2H3,(H,12,13,14)/t5-,6-/m0/s1
InChIKeyWNUGDXSWWKZTSV-WDSKDSINSA-N
MW191.19 g/mol
LogP-0.05
Rot. Bonds

About (3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile

(3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile (PubChem CID 86309063) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile.

Molecular Properties

Compound Name(3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile
PubChem CID86309063
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1(C)[C@@H](C#N)C(=O)NC(=O)[C@@H]1C#N
InChIInChI=1S/C9H9N3O2/c1-9(2)5(3-10)7(13)12-8(14)6(9)4-11/h5-6H,1-2H3,(H,12,13,14)/t5-,6-/m0/s1
InChIKeyWNUGDXSWWKZTSV-WDSKDSINSA-N
XLogP-0.05
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
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 (3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The IUPAC name of (3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile (CID 86309063) is (3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile.
What is the SMILES notation for (3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The canonical SMILES for (3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile is CC1(C)[C@@H](C#N)C(=O)NC(=O)[C@@H]1C#N.
What is the InChIKey of (3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The InChIKey is WNUGDXSWWKZTSV-WDSKDSINSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-9(2)5(3-10)7(13)12-8(14)6(9)4-11/h5-6H,1-2H3,(H,12,13,14)/t5-,6-/m0/s1.
What are the key properties of (3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
(3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile has a molecular weight of 191.19 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile is sourced from PubChem (CID 86309063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).