2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile

C12H18N2O2 — CID 55209853

IUPAC2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C12H18N2O2/c1-5-12(4,8-13)14-9(15)6-11(2,3)7-10(14)16/h5-7H2,1-4H3
InChIKeyMMUUZVQTNFRLMX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.85
Rot. Bonds2

About 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile

2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile (PubChem CID 55209853) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile
PubChem CID55209853
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C12H18N2O2/c1-5-12(4,8-13)14-9(15)6-11(2,3)7-10(14)16/h5-7H2,1-4H3
InChIKeyMMUUZVQTNFRLMX-UHFFFAOYSA-N
XLogP1.85
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile?
The IUPAC name of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile (CID 55209853) is 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile?
The canonical SMILES for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile is CCC(C)(C#N)N1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile?
The InChIKey is MMUUZVQTNFRLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-12(4,8-13)14-9(15)6-11(2,3)7-10(14)16/h5-7H2,1-4H3.
What are the key properties of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile?
2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile has a molecular weight of 222.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-methylbutanenitrile is sourced from PubChem (CID 55209853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).