2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride

C7H10ClN3O3 — CID 71431300

IUPAC2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride
SMILESCC(C(=O)NN)N1C(=O)C=CC1=O.Cl
InChIInChI=1S/C7H9N3O3.ClH/c1-4(7(13)9-8)10-5(11)2-3-6(10)12;/h2-4H,8H2,1H3,(H,9,13);1H
InChIKeyGTRLFYMAARVXCX-UHFFFAOYSA-N
MW219.63 g/mol
LogP-1.29
Rot. Bonds2

About 2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride

2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride (PubChem CID 71431300) has the molecular formula C7H10ClN3O3 and a molecular weight of 219.63 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride
PubChem CID71431300
Molecular FormulaC7H10ClN3O3
Molecular Weight219.63 g/mol
Exact Mass219.04
IUPAC Name2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride
SMILESCC(C(=O)NN)N1C(=O)C=CC1=O.Cl
InChIInChI=1S/C7H9N3O3.ClH/c1-4(7(13)9-8)10-5(11)2-3-6(10)12;/h2-4H,8H2,1H3,(H,9,13);1H
InChIKeyGTRLFYMAARVXCX-UHFFFAOYSA-N
XLogP-1.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride (CID 71431300) is 2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride is CC(C(=O)NN)N1C(=O)C=CC1=O.Cl.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride?
The InChIKey is GTRLFYMAARVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3.ClH/c1-4(7(13)9-8)10-5(11)2-3-6(10)12;/h2-4H,8H2,1H3,(H,9,13);1H.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride?
2-(2,5-dioxopyrrol-1-yl)propanehydrazide;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of -1.29, 2 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)propanehydrazide;hydrochloride is sourced from PubChem (CID 71431300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).