N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide

C14H13N3O3 — CID 61238107

IUPACN-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCC1CC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C14H13N3O3/c1-9-6-13(19)17(14(9)20)8-12(18)16-11-4-2-10(7-15)3-5-11/h2-5,9H,6,8H2,1H3,(H,16,18)
InChIKeyJFCMUKNHTRSWBH-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.89
Rot. Bonds3

About N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide

N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 61238107) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID61238107
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCC1CC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C14H13N3O3/c1-9-6-13(19)17(14(9)20)8-12(18)16-11-4-2-10(7-15)3-5-11/h2-5,9H,6,8H2,1H3,(H,16,18)
InChIKeyJFCMUKNHTRSWBH-UHFFFAOYSA-N
XLogP0.89
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.89
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

N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
CID 104511824
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2161891
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
4-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propoxy]benzonitrile
CID 61238279
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 66073547
N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2078188
N-(5-amino-2-fluorophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide
CID 61238432
2-(4-methyl-2,6-dioxopiperidin-1-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 75392488
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide (CID 61238107) is N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide is CC1CC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is JFCMUKNHTRSWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-6-13(19)17(14(9)20)8-12(18)16-11-4-2-10(7-15)3-5-11/h2-5,9H,6,8H2,1H3,(H,16,18).
What are the key properties of N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 271.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 61238107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).