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

C8H15N3O3 — CID 176992092

IUPAC3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen
SMILESCNNC(=O)CCN1C(=O)C=CC1=O.[H][H].[H][H]
InChIInChI=1S/C8H11N3O3.2H2/c1-9-10-6(12)4-5-11-7(13)2-3-8(11)14;;/h2-3,9H,4-5H2,1H3,(H,10,12);2*1H
InChIKeyCRBFUUQMZIKMBN-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.96
Rot. Bonds4

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

3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen (PubChem CID 176992092) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen
PubChem CID176992092
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen
SMILESCNNC(=O)CCN1C(=O)C=CC1=O.[H][H].[H][H]
InChIInChI=1S/C8H11N3O3.2H2/c1-9-10-6(12)4-5-11-7(13)2-3-8(11)14;;/h2-3,9H,4-5H2,1H3,(H,10,12);2*1H
InChIKeyCRBFUUQMZIKMBN-UHFFFAOYSA-N
XLogP-0.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.96
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;molecular hydrogen?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen (CID 176992092) is 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen is CNNC(=O)CCN1C(=O)C=CC1=O.[H][H].[H][H].
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen?
The InChIKey is CRBFUUQMZIKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3.2H2/c1-9-10-6(12)4-5-11-7(13)2-3-8(11)14;;/h2-3,9H,4-5H2,1H3,(H,10,12);2*1H.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen?
3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen has a molecular weight of 201.23 g/mol, XLogP of -0.96, 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;molecular hydrogen is sourced from PubChem (CID 176992092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).