N-(2,4-dioxopyrrolidin-3-yl)hexanamide

C10H16N2O3 — CID 163940017

IUPACN-(2,4-dioxopyrrolidin-3-yl)hexanamide
SMILESCCCCCC(=O)NC1C(=O)CNC1=O
InChIInChI=1S/C10H16N2O3/c1-2-3-4-5-8(14)12-9-7(13)6-11-10(9)15/h9H,2-6H2,1H3,(H,11,15)(H,12,14)
InChIKeyRQEMYOBFOVEJIQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.25
Rot. Bonds5

About N-(2,4-dioxopyrrolidin-3-yl)hexanamide

N-(2,4-dioxopyrrolidin-3-yl)hexanamide (PubChem CID 163940017) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(2,4-dioxopyrrolidin-3-yl)hexanamide.

Molecular Properties

Compound NameN-(2,4-dioxopyrrolidin-3-yl)hexanamide
PubChem CID163940017
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-(2,4-dioxopyrrolidin-3-yl)hexanamide
SMILESCCCCCC(=O)NC1C(=O)CNC1=O
InChIInChI=1S/C10H16N2O3/c1-2-3-4-5-8(14)12-9-7(13)6-11-10(9)15/h9H,2-6H2,1H3,(H,11,15)(H,12,14)
InChIKeyRQEMYOBFOVEJIQ-UHFFFAOYSA-N
XLogP-0.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
N-(4-oxocyclohexyl)octanamide
CID 43652747
N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide
CID 65427507
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
N-piperidin-4-ylhexanamide;hydrochloride
CID 47002713
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxopyrrolidin-3-yl)hexanamide?
The IUPAC name of N-(2,4-dioxopyrrolidin-3-yl)hexanamide (CID 163940017) is N-(2,4-dioxopyrrolidin-3-yl)hexanamide.
What is the SMILES notation for N-(2,4-dioxopyrrolidin-3-yl)hexanamide?
The canonical SMILES for N-(2,4-dioxopyrrolidin-3-yl)hexanamide is CCCCCC(=O)NC1C(=O)CNC1=O.
What is the InChIKey of N-(2,4-dioxopyrrolidin-3-yl)hexanamide?
The InChIKey is RQEMYOBFOVEJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-3-4-5-8(14)12-9-7(13)6-11-10(9)15/h9H,2-6H2,1H3,(H,11,15)(H,12,14).
What are the key properties of N-(2,4-dioxopyrrolidin-3-yl)hexanamide?
N-(2,4-dioxopyrrolidin-3-yl)hexanamide has a molecular weight of 212.25 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxopyrrolidin-3-yl)hexanamide is sourced from PubChem (CID 163940017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).