5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide

C13H14BrN3O3 — CID 63579731

IUPAC5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H14BrN3O3/c14-8-4-5-10-9(7-8)12(19)13(20)17(10)6-2-1-3-11(18)16-15/h4-5,7H,1-3,6,15H2,(H,16,18)
InChIKeyFHEUUWPRMLJGGR-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.14
Rot. Bonds5

About 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide

5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide (PubChem CID 63579731) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide
PubChem CID63579731
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H14BrN3O3/c14-8-4-5-10-9(7-8)12(19)13(20)17(10)6-2-1-3-11(18)16-15/h4-5,7H,1-3,6,15H2,(H,16,18)
InChIKeyFHEUUWPRMLJGGR-UHFFFAOYSA-N
XLogP1.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.14
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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide 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

5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
CID 139227607
3-(5-bromo-2,3-dioxoindol-1-yl)propanamide
CID 43152576
hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate
CID 66338418
3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325001
4-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)butanehydrazide
CID 63582418
5-bromo-1-[3-(cyclopropylamino)propyl]indole-2,3-dione
CID 61387405
2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
CID 61485417
4-(6-bromo-2,3-dioxoindol-1-yl)butanoic acid
CID 18072187
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
5-bromo-1-(2-oxopentyl)indole-2,3-dione
CID 62041410
4-(6,7-dimethyl-2,3-dioxoindol-1-yl)butanehydrazide
CID 63580211
5-(5-bromo-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile
CID 65255661

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide?
The IUPAC name of 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide (CID 63579731) is 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide?
The canonical SMILES for 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide is NNC(=O)CCCCN1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide?
The InChIKey is FHEUUWPRMLJGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c14-8-4-5-10-9(7-8)12(19)13(20)17(10)6-2-1-3-11(18)16-15/h4-5,7H,1-3,6,15H2,(H,16,18).
What are the key properties of 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide?
5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide has a molecular weight of 340.18 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide is sourced from PubChem (CID 63579731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).