hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate

C11H10BrN3O4 — CID 66338418

IUPAChydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate
SMILESNNOC(=O)CCN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C11H10BrN3O4/c12-6-1-2-8-7(5-6)10(17)11(18)15(8)4-3-9(16)19-14-13/h1-2,5,14H,3-4,13H2
InChIKeyIVPMEZZSGXQQLX-UHFFFAOYSA-N
MW328.12 g/mol
LogP0.29
Rot. Bonds4

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

hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate (PubChem CID 66338418) has the molecular formula C11H10BrN3O4 and a molecular weight of 328.12 g/mol. Its IUPAC name is hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate
PubChem CID66338418
Molecular FormulaC11H10BrN3O4
Molecular Weight328.12 g/mol
Exact Mass326.99
IUPAC Namehydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate
SMILESNNOC(=O)CCN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C11H10BrN3O4/c12-6-1-2-8-7(5-6)10(17)11(18)15(8)4-3-9(16)19-14-13/h1-2,5,14H,3-4,13H2
InChIKeyIVPMEZZSGXQQLX-UHFFFAOYSA-N
XLogP0.29
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate (CID 66338418) is hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate is NNOC(=O)CCN1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate?
The InChIKey is IVPMEZZSGXQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O4/c12-6-1-2-8-7(5-6)10(17)11(18)15(8)4-3-9(16)19-14-13/h1-2,5,14H,3-4,13H2.
What are the key properties of hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate?
hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate has a molecular weight of 328.12 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate is sourced from PubChem (CID 66338418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).