5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile

C12H19N3O2 — CID 106804177

IUPAC5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1C(=O)CCC1=O)NC
InChIInChI=1S/C12H19N3O2/c1-3-12(9-13,14-2)7-4-8-15-10(16)5-6-11(15)17/h14H,3-8H2,1-2H3
InChIKeyPQAMVXGGHRXECZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.81
Rot. Bonds6

About 5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile

5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106804177) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106804177
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1C(=O)CCC1=O)NC
InChIInChI=1S/C12H19N3O2/c1-3-12(9-13,14-2)7-4-8-15-10(16)5-6-11(15)17/h14H,3-8H2,1-2H3
InChIKeyPQAMVXGGHRXECZ-UHFFFAOYSA-N
XLogP0.81
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804259
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754
2-ethyl-2-(methylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 106803568
2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile
CID 106804133
2-ethyl-2-(methylamino)-5-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pentanenitrile
CID 106804063
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802864
2-ethyl-2-(methylamino)butanenitrile
CID 43115036
2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 106802760
2-ethyl-5-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)pentanenitrile
CID 106804039
5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803300
1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione
CID 164683801

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile (CID 106804177) is 5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile is CCC(C#N)(CCCN1C(=O)CCC1=O)NC.
What is the InChIKey of 5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is PQAMVXGGHRXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-12(9-13,14-2)7-4-8-15-10(16)5-6-11(15)17/h14H,3-8H2,1-2H3.
What are the key properties of 5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile?
5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 237.30 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106804177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).