2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide

C12H11ClN2O5 — CID 71603240

IUPAC2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
SMILESO=C(CN1C(=O)C2(OCCO2)c2cc(Cl)ccc21)NO
InChIInChI=1S/C12H11ClN2O5/c13-7-1-2-9-8(5-7)12(19-3-4-20-12)11(17)15(9)6-10(16)14-18/h1-2,5,18H,3-4,6H2,(H,14,16)
InChIKeyLMBTVUVKFKACKZ-UHFFFAOYSA-N
MW298.68 g/mol
LogP0.39
Rot. Bonds2

About 2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide

2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide (PubChem CID 71603240) has the molecular formula C12H11ClN2O5 and a molecular weight of 298.68 g/mol. Its IUPAC name is 2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
PubChem CID71603240
Molecular FormulaC12H11ClN2O5
Molecular Weight298.68 g/mol
Exact Mass298.04
IUPAC Name2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
SMILESO=C(CN1C(=O)C2(OCCO2)c2cc(Cl)ccc21)NO
InChIInChI=1S/C12H11ClN2O5/c13-7-1-2-9-8(5-7)12(19-3-4-20-12)11(17)15(9)6-10(16)14-18/h1-2,5,18H,3-4,6H2,(H,14,16)
InChIKeyLMBTVUVKFKACKZ-UHFFFAOYSA-N
XLogP0.39
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide (CID 71603240) is 2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide is O=C(CN1C(=O)C2(OCCO2)c2cc(Cl)ccc21)NO.
What is the InChIKey of 2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide?
The InChIKey is LMBTVUVKFKACKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O5/c13-7-1-2-9-8(5-7)12(19-3-4-20-12)11(17)15(9)6-10(16)14-18/h1-2,5,18H,3-4,6H2,(H,14,16).
What are the key properties of 2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide?
2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide has a molecular weight of 298.68 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide is sourced from PubChem (CID 71603240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).