indol-2-one;oxalic acid

C10H7NO5 — CID 69382661

IUPACindol-2-one;oxalic acid
SMILESO=C(O)C(=O)O.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.C2H2O4/c10-8-5-6-3-1-2-4-7(6)9-8;3-1(4)2(5)6/h1-5H;(H,3,4)(H,5,6)
InChIKeyMKQHSAVJDZRNFH-UHFFFAOYSA-N
MW221.17 g/mol
LogP-1.22
Rot. Bonds

About indol-2-one;oxalic acid

indol-2-one;oxalic acid (PubChem CID 69382661) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is indol-2-one;oxalic acid.

Molecular Properties

Compound Nameindol-2-one;oxalic acid
PubChem CID69382661
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC Nameindol-2-one;oxalic acid
SMILESO=C(O)C(=O)O.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.C2H2O4/c10-8-5-6-3-1-2-4-7(6)9-8;3-1(4)2(5)6/h1-5H;(H,3,4)(H,5,6)
InChIKeyMKQHSAVJDZRNFH-UHFFFAOYSA-N
XLogP-1.22
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of indol-2-one;oxalic acid?
The IUPAC name of indol-2-one;oxalic acid (CID 69382661) is indol-2-one;oxalic acid.
What is the SMILES notation for indol-2-one;oxalic acid?
The canonical SMILES for indol-2-one;oxalic acid is O=C(O)C(=O)O.O=C1C=c2ccccc2=N1.
What is the InChIKey of indol-2-one;oxalic acid?
The InChIKey is MKQHSAVJDZRNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO.C2H2O4/c10-8-5-6-3-1-2-4-7(6)9-8;3-1(4)2(5)6/h1-5H;(H,3,4)(H,5,6).
What are the key properties of indol-2-one;oxalic acid?
indol-2-one;oxalic acid has a molecular weight of 221.17 g/mol, XLogP of -1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indol-2-one;oxalic acid is sourced from PubChem (CID 69382661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).