2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile

C14H15N3O2 — CID 43636189

IUPAC2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile
SMILESCC(C)N1C(=O)CC(Nc2ccccc2C#N)C1=O
InChIInChI=1S/C14H15N3O2/c1-9(2)17-13(18)7-12(14(17)19)16-11-6-4-3-5-10(11)8-15/h3-6,9,12,16H,7H2,1-2H3
InChIKeyYFLIHIGJFISDEJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.51
Rot. Bonds3

About 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile

2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile (PubChem CID 43636189) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile
PubChem CID43636189
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile
SMILESCC(C)N1C(=O)CC(Nc2ccccc2C#N)C1=O
InChIInChI=1S/C14H15N3O2/c1-9(2)17-13(18)7-12(14(17)19)16-11-6-4-3-5-10(11)8-15/h3-6,9,12,16H,7H2,1-2H3
InChIKeyYFLIHIGJFISDEJ-UHFFFAOYSA-N
XLogP1.51
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.51
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-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-5-fluorobenzonitrile
CID 82016968
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-6-methylbenzonitrile
CID 107804189
6-chloro-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 133428808
3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636396
3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636637
2-[(2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 43637695
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione
CID 79100069
3-(3-methylsulfanylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636337
3-[(2-ethylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 64681148
1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43636390
2-[(2-methylcyclobutyl)amino]benzonitrile
CID 130554324

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile?
The IUPAC name of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile (CID 43636189) is 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile.
What is the SMILES notation for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile?
The canonical SMILES for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile is CC(C)N1C(=O)CC(Nc2ccccc2C#N)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile?
The InChIKey is YFLIHIGJFISDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(2)17-13(18)7-12(14(17)19)16-11-6-4-3-5-10(11)8-15/h3-6,9,12,16H,7H2,1-2H3.
What are the key properties of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile?
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile has a molecular weight of 257.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile is sourced from PubChem (CID 43636189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).