2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile

C11H16N2O2 — CID 61121955

IUPAC2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)N1C(=O)CCCC1=O
InChIInChI=1S/C11H16N2O2/c1-3-11(4-2,8-12)13-9(14)6-5-7-10(13)15/h3-7H2,1-2H3
InChIKeyLFXXQOPXMSAOEA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.61
Rot. Bonds3

About 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile

2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile (PubChem CID 61121955) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile
PubChem CID61121955
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)N1C(=O)CCCC1=O
InChIInChI=1S/C11H16N2O2/c1-3-11(4-2,8-12)13-9(14)6-5-7-10(13)15/h3-7H2,1-2H3
InChIKeyLFXXQOPXMSAOEA-UHFFFAOYSA-N
XLogP1.61
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.61
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-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile (CID 61121955) is 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile is CCC(C#N)(CC)N1C(=O)CCCC1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile?
The InChIKey is LFXXQOPXMSAOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-11(4-2,8-12)13-9(14)6-5-7-10(13)15/h3-7H2,1-2H3.
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile?
2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile has a molecular weight of 208.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-2-ethylbutanenitrile is sourced from PubChem (CID 61121955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).