4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride

C8H12ClN3O3 — CID 71748351

IUPAC4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride
SMILESCl.NNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O3.ClH/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14;/h3-4H,1-2,5,9H2,(H,10,12);1H
InChIKeyGFZJTCCUUNLIGG-UHFFFAOYSA-N
MW233.65 g/mol
LogP-0.90
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride

4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride (PubChem CID 71748351) has the molecular formula C8H12ClN3O3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride
PubChem CID71748351
Molecular FormulaC8H12ClN3O3
Molecular Weight233.65 g/mol
Exact Mass233.06
IUPAC Name4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride
SMILESCl.NNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O3.ClH/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14;/h3-4H,1-2,5,9H2,(H,10,12);1H
InChIKeyGFZJTCCUUNLIGG-UHFFFAOYSA-N
XLogP-0.90
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 5-0.90
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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Related Compounds

E-Maleimidocaproic acid hydrazine hydrochloride
CID 44119987
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide
CID 4170354
3-Maleimidopropionic acid hydrazide
CID 4401583
Maleimidoethylacetamide
CID 17867096
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanehydrazide hydrochloride
CID 44119989
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanehydrazide
CID 53249370
N-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-methylboronamidic acid
CID 59440059
[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]azanium
CID 59514921
4-(2,5-Dioxopyrrol-1-yl)hexanehydrazide
CID 68491833
[4-(2,5-Dioxopyrrol-1-yl)butanoylamino]carbamic acid
CID 68634628
1-(5-Hydrazinylpentyl)pyrrole-2,5-dione
CID 70639132
CID 70863650
CID 70863650

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride (CID 71748351) is 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride is Cl.NNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride?
The InChIKey is GFZJTCCUUNLIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3.ClH/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14;/h3-4H,1-2,5,9H2,(H,10,12);1H.
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride?
4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride has a molecular weight of 233.65 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride is sourced from PubChem (CID 71748351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).