3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide

C10H16N2O3 — CID 58708342

IUPAC3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide
SMILESCC(C)CC(=O)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-6(2)4-8(13)11-7-5-9(14)12(3)10(7)15/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKeyNGIQRDWEEGYYFI-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.09
Rot. Bonds3

About 3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide

3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide (PubChem CID 58708342) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide
PubChem CID58708342
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide
SMILESCC(C)CC(=O)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-6(2)4-8(13)11-7-5-9(14)12(3)10(7)15/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKeyNGIQRDWEEGYYFI-UHFFFAOYSA-N
XLogP-0.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3-oxopropanoic acid
CID 114898685
3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605482
1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3-propan-2-ylthiourea
CID 116509145
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid
CID 43638674
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide
CID 116656505
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 107358045
3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 103390234
1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea
CID 164638967
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
CID 110719693
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide?
The IUPAC name of 3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide (CID 58708342) is 3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide?
The canonical SMILES for 3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide is CC(C)CC(=O)NC1CC(=O)N(C)C1=O.
What is the InChIKey of 3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide?
The InChIKey is NGIQRDWEEGYYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6(2)4-8(13)11-7-5-9(14)12(3)10(7)15/h6-7H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide?
3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide has a molecular weight of 212.25 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide is sourced from PubChem (CID 58708342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).