3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide

C11H10BrN3O3 — CID 63579004

IUPAC3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide
SMILESNNC(=O)CCN1C(=O)C(=O)c2c(Br)cccc21
InChIInChI=1S/C11H10BrN3O3/c12-6-2-1-3-7-9(6)10(17)11(18)15(7)5-4-8(16)14-13/h1-3H,4-5,13H2,(H,14,16)
InChIKeyCXARUYOKVZVYSK-UHFFFAOYSA-N
MW312.12 g/mol
LogP0.36
Rot. Bonds3

About 3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide

3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide (PubChem CID 63579004) has the molecular formula C11H10BrN3O3 and a molecular weight of 312.12 g/mol. Its IUPAC name is 3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide
PubChem CID63579004
Molecular FormulaC11H10BrN3O3
Molecular Weight312.12 g/mol
Exact Mass310.99
IUPAC Name3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide
SMILESNNC(=O)CCN1C(=O)C(=O)c2c(Br)cccc21
InChIInChI=1S/C11H10BrN3O3/c12-6-2-1-3-7-9(6)10(17)11(18)15(7)5-4-8(16)14-13/h1-3H,4-5,13H2,(H,14,16)
InChIKeyCXARUYOKVZVYSK-UHFFFAOYSA-N
XLogP0.36
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide?
The IUPAC name of 3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide (CID 63579004) is 3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide?
The canonical SMILES for 3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide is NNC(=O)CCN1C(=O)C(=O)c2c(Br)cccc21.
What is the InChIKey of 3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide?
The InChIKey is CXARUYOKVZVYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3/c12-6-2-1-3-7-9(6)10(17)11(18)15(7)5-4-8(16)14-13/h1-3H,4-5,13H2,(H,14,16).
What are the key properties of 3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide?
3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide has a molecular weight of 312.12 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,3-dioxoindol-1-yl)propanehydrazide is sourced from PubChem (CID 63579004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).