2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide

C10H8ClN3O3 — CID 63580023

IUPAC2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide
SMILESNNC(=O)CN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C10H8ClN3O3/c11-5-2-1-3-6-8(5)9(16)10(17)14(6)4-7(15)13-12/h1-3H,4,12H2,(H,13,15)
InChIKeyXQNKITFEWIJPCO-UHFFFAOYSA-N
MW253.64 g/mol
LogP-0.14
Rot. Bonds2

About 2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide

2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide (PubChem CID 63580023) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.64 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide
PubChem CID63580023
Molecular FormulaC10H8ClN3O3
Molecular Weight253.64 g/mol
Exact Mass253.03
IUPAC Name2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide
SMILESNNC(=O)CN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C10H8ClN3O3/c11-5-2-1-3-6-8(5)9(16)10(17)14(6)4-7(15)13-12/h1-3H,4,12H2,(H,13,15)
InChIKeyXQNKITFEWIJPCO-UHFFFAOYSA-N
XLogP-0.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 5-0.14
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 2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide?
The IUPAC name of 2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide (CID 63580023) is 2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide is NNC(=O)CN1C(=O)C(=O)c2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide?
The InChIKey is XQNKITFEWIJPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c11-5-2-1-3-6-8(5)9(16)10(17)14(6)4-7(15)13-12/h1-3H,4,12H2,(H,13,15).
What are the key properties of 2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide?
2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide has a molecular weight of 253.64 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide is sourced from PubChem (CID 63580023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).