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

C9H14ClN3O3 — CID 91667264

IUPAC5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
SMILESCl.NNC(=O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O3.ClH/c10-11-7(13)3-1-2-6-12-8(14)4-5-9(12)15;/h4-5H,1-3,6,10H2,(H,11,13);1H
InChIKeyLONHVDZWNFFXCQ-UHFFFAOYSA-N
MW247.68 g/mol
LogP-0.51
Rot. Bonds5

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

5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride (PubChem CID 91667264) has the molecular formula C9H14ClN3O3 and a molecular weight of 247.68 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
PubChem CID91667264
Molecular FormulaC9H14ClN3O3
Molecular Weight247.68 g/mol
Exact Mass247.07
IUPAC Name5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
SMILESCl.NNC(=O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O3.ClH/c10-11-7(13)3-1-2-6-12-8(14)4-5-9(12)15;/h4-5H,1-3,6,10H2,(H,11,13);1H
InChIKeyLONHVDZWNFFXCQ-UHFFFAOYSA-N
XLogP-0.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084354
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide;molecular hydrogen
CID 169205494
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
CID 58173871
2-[2-(2,5-dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride (CID 91667264) is 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride is Cl.NNC(=O)CCCCN1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride?
The InChIKey is LONHVDZWNFFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3.ClH/c10-11-7(13)3-1-2-6-12-8(14)4-5-9(12)15;/h4-5H,1-3,6,10H2,(H,11,13);1H.
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride?
5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride has a molecular weight of 247.68 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride is sourced from PubChem (CID 91667264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).