4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile

C16H17N3O2 — CID 43637380

IUPAC4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
SMILESN#Cc1ccc(NC2CC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C16H17N3O2/c17-10-11-5-7-12(8-6-11)18-14-9-15(20)19(16(14)21)13-3-1-2-4-13/h5-8,13-14,18H,1-4,9H2
InChIKeyAYORKPBZXGZOAD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.04
Rot. Bonds3

About 4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile

4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile (PubChem CID 43637380) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
PubChem CID43637380
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
SMILESN#Cc1ccc(NC2CC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C16H17N3O2/c17-10-11-5-7-12(8-6-11)18-14-9-15(20)19(16(14)21)13-3-1-2-4-13/h5-8,13-14,18H,1-4,9H2
InChIKeyAYORKPBZXGZOAD-UHFFFAOYSA-N
XLogP2.04
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.04
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

3-anilino-1-cycloheptylpyrrolidine-2,5-dione
CID 43637260
2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile
CID 61061098
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183
(3R)-3-(1,3-benzodioxol-5-ylamino)-1-cyclohexylpyrrolidine-2,5-dione
CID 7456103
(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione
CID 51454371
1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione
CID 66349722
(3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
CID 25349483
1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione
CID 62903654
1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione
CID 43637603
1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
CID 43637342
4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60884623

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile?
The IUPAC name of 4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile (CID 43637380) is 4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile?
The canonical SMILES for 4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile is N#Cc1ccc(NC2CC(=O)N(C3CCCC3)C2=O)cc1.
What is the InChIKey of 4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile?
The InChIKey is AYORKPBZXGZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-10-11-5-7-12(8-6-11)18-14-9-15(20)19(16(14)21)13-3-1-2-4-13/h5-8,13-14,18H,1-4,9H2.
What are the key properties of 4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile?
4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile is sourced from PubChem (CID 43637380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).