2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide

C7H10N2O3 — CID 4550598

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C7H10N2O3/c1-8-5(10)4-9-6(11)2-3-7(9)12/h2-4H2,1H3,(H,8,10)
InChIKeyGMDNODVNBFNMHC-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.12
Rot. Bonds2

About 2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide (PubChem CID 4550598) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide
PubChem CID4550598
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C7H10N2O3/c1-8-5(10)4-9-6(11)2-3-7(9)12/h2-4H2,1H3,(H,8,10)
InChIKeyGMDNODVNBFNMHC-UHFFFAOYSA-N
XLogP-1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide (CID 4550598) is 2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide is CNC(=O)CN1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide?
The InChIKey is GMDNODVNBFNMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-8-5(10)4-9-6(11)2-3-7(9)12/h2-4H2,1H3,(H,8,10).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide has a molecular weight of 170.17 g/mol, XLogP of -1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 4550598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).