3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide

C8H11N3O3 — CID 169243830

IUPAC3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O3/c1-9-10-6(12)4-5-11-7(13)2-3-8(11)14/h2-3,9H,4-5H2,1H3,(H,10,12)
InChIKeyGMYFUNBQTXFJPQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.45
Rot. Bonds4

About 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide

3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide (PubChem CID 169243830) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide
PubChem CID169243830
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O3/c1-9-10-6(12)4-5-11-7(13)2-3-8(11)14/h2-3,9H,4-5H2,1H3,(H,10,12)
InChIKeyGMYFUNBQTXFJPQ-UHFFFAOYSA-N
XLogP-1.45
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 ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide (CID 169243830) is 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide is CNNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide?
The InChIKey is GMYFUNBQTXFJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-9-10-6(12)4-5-11-7(13)2-3-8(11)14/h2-3,9H,4-5H2,1H3,(H,10,12).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide?
3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide has a molecular weight of 197.19 g/mol, XLogP of -1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide is sourced from PubChem (CID 169243830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).