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

C8H12N4O3 — CID 142493347

IUPAC3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide
SMILESCNNC(=O)C(CN)N1C(=O)C=CC1=O
InChIInChI=1S/C8H12N4O3/c1-10-11-8(15)5(4-9)12-6(13)2-3-7(12)14/h2-3,5,10H,4,9H2,1H3,(H,11,15)
InChIKeyRKSKYVBVLYTORV-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.51
Rot. Bonds4

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

3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide (PubChem CID 142493347) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide
PubChem CID142493347
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide
SMILESCNNC(=O)C(CN)N1C(=O)C=CC1=O
InChIInChI=1S/C8H12N4O3/c1-10-11-8(15)5(4-9)12-6(13)2-3-7(12)14/h2-3,5,10H,4,9H2,1H3,(H,11,15)
InChIKeyRKSKYVBVLYTORV-UHFFFAOYSA-N
XLogP-2.51
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-2.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide?
The IUPAC name of 3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide (CID 142493347) is 3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide is CNNC(=O)C(CN)N1C(=O)C=CC1=O.
What is the InChIKey of 3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide?
The InChIKey is RKSKYVBVLYTORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-10-11-8(15)5(4-9)12-6(13)2-3-7(12)14/h2-3,5,10H,4,9H2,1H3,(H,11,15).
What are the key properties of 3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide?
3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide has a molecular weight of 212.21 g/mol, XLogP of -2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide is sourced from PubChem (CID 142493347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).