2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide

C12H13N3O4 — CID 3114847

IUPAC2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide
SMILESNNC(=O)CN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C12H13N3O4/c13-14-10(16)7-15-9-4-2-1-3-8(9)12(11(15)17)18-5-6-19-12/h1-4H,5-7,13H2,(H,14,16)
InChIKeySOBHKZHLCOJHTI-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.78
Rot. Bonds2

About 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide

2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide (PubChem CID 3114847) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide
PubChem CID3114847
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide
SMILESNNC(=O)CN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C12H13N3O4/c13-14-10(16)7-15-9-4-2-1-3-8(9)12(11(15)17)18-5-6-19-12/h1-4H,5-7,13H2,(H,14,16)
InChIKeySOBHKZHLCOJHTI-UHFFFAOYSA-N
XLogP-0.78
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide?
The IUPAC name of 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide (CID 3114847) is 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide.
What is the SMILES notation for 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide?
The canonical SMILES for 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide is NNC(=O)CN1C(=O)C2(OCCO2)c2ccccc21.
What is the InChIKey of 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide?
The InChIKey is SOBHKZHLCOJHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c13-14-10(16)7-15-9-4-2-1-3-8(9)12(11(15)17)18-5-6-19-12/h1-4H,5-7,13H2,(H,14,16).
What are the key properties of 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide?
2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide has a molecular weight of 263.25 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetohydrazide is sourced from PubChem (CID 3114847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).