(3-oxoindol-2-yl) hydrogen carbonate

C9H5NO4 — CID 70554420

IUPAC(3-oxoindol-2-yl) hydrogen carbonate
SMILESO=C(O)OC1=Nc2ccccc2C1=O
InChIInChI=1S/C9H5NO4/c11-7-5-3-1-2-4-6(5)10-8(7)14-9(12)13/h1-4H,(H,12,13)
InChIKeyZWKWKXGWJSUYNI-UHFFFAOYSA-N
MW191.14 g/mol
LogP1.61
Rot. Bonds

About (3-oxoindol-2-yl) hydrogen carbonate

(3-oxoindol-2-yl) hydrogen carbonate (PubChem CID 70554420) has the molecular formula C9H5NO4 and a molecular weight of 191.14 g/mol. Its IUPAC name is (3-oxoindol-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-oxoindol-2-yl) hydrogen carbonate
PubChem CID70554420
Molecular FormulaC9H5NO4
Molecular Weight191.14 g/mol
Exact Mass191.02
IUPAC Name(3-oxoindol-2-yl) hydrogen carbonate
SMILESO=C(O)OC1=Nc2ccccc2C1=O
InChIInChI=1S/C9H5NO4/c11-7-5-3-1-2-4-6(5)10-8(7)14-9(12)13/h1-4H,(H,12,13)
InChIKeyZWKWKXGWJSUYNI-UHFFFAOYSA-N
XLogP1.61
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-oxoindol-2-yl) hydrogen carbonate?
The IUPAC name of (3-oxoindol-2-yl) hydrogen carbonate (CID 70554420) is (3-oxoindol-2-yl) hydrogen carbonate.
What is the SMILES notation for (3-oxoindol-2-yl) hydrogen carbonate?
The canonical SMILES for (3-oxoindol-2-yl) hydrogen carbonate is O=C(O)OC1=Nc2ccccc2C1=O.
What is the InChIKey of (3-oxoindol-2-yl) hydrogen carbonate?
The InChIKey is ZWKWKXGWJSUYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO4/c11-7-5-3-1-2-4-6(5)10-8(7)14-9(12)13/h1-4H,(H,12,13).
What are the key properties of (3-oxoindol-2-yl) hydrogen carbonate?
(3-oxoindol-2-yl) hydrogen carbonate has a molecular weight of 191.14 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxoindol-2-yl) hydrogen carbonate is sourced from PubChem (CID 70554420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).