2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide

C8H11N3O3 — CID 91129259

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide
SMILESCNCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O3/c1-9-5-10-6(12)4-11-7(13)2-3-8(11)14/h2-3,9H,4-5H2,1H3,(H,10,12)
InChIKeyGLBJSCAPVHHKOS-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.80
Rot. Bonds4

About 2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide

2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide (PubChem CID 91129259) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide
PubChem CID91129259
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide
SMILESCNCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O3/c1-9-5-10-6(12)4-11-7(13)2-3-8(11)14/h2-3,9H,4-5H2,1H3,(H,10,12)
InChIKeyGLBJSCAPVHHKOS-UHFFFAOYSA-N
XLogP-1.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl N-[3-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]propyl]carbamate
CID 21042085
2-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 145373161
N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 169116730
N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
CID 91000242
1-(2-oxopropyl)pyrrole-2,5-dione
CID 20692341
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
CID 142400579
N-[3-(dimethylaminooxy)-2-hydroxypropyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 89397478
methane;1-(2-oxopropyl)pyrrole-2,5-dione
CID 158929127
(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,3-dimethylbutanamide
CID 164902005
2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanamide
CID 164901946
2-(2,5-dioxopyrrol-1-yl)acetyl chloride
CID 11829930
1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione
CID 20666019

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide (CID 91129259) is 2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide is CNCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide?
The InChIKey is GLBJSCAPVHHKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-9-5-10-6(12)4-11-7(13)2-3-8(11)14/h2-3,9H,4-5H2,1H3,(H,10,12).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide?
2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide has a molecular weight of 197.19 g/mol, XLogP of -1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide is sourced from PubChem (CID 91129259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).