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

C9H13N3O3 — CID 169205487

IUPAC3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide
SMILESCCNNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O3/c1-2-10-11-7(13)5-6-12-8(14)3-4-9(12)15/h3-4,10H,2,5-6H2,1H3,(H,11,13)
InChIKeyURJPUAKCMGBTSW-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.06
Rot. Bonds5

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

3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide (PubChem CID 169205487) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide
PubChem CID169205487
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide
SMILESCCNNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O3/c1-2-10-11-7(13)5-6-12-8(14)3-4-9(12)15/h3-4,10H,2,5-6H2,1H3,(H,11,13)
InChIKeyURJPUAKCMGBTSW-UHFFFAOYSA-N
XLogP-1.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.06
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'-ethylpropanehydrazide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide (CID 169205487) is 3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide is CCNNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide?
The InChIKey is URJPUAKCMGBTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-10-11-7(13)5-6-12-8(14)3-4-9(12)15/h3-4,10H,2,5-6H2,1H3,(H,11,13).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide?
3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide has a molecular weight of 211.22 g/mol, XLogP of -1.06, 5 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'-ethylpropanehydrazide is sourced from PubChem (CID 169205487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).