(2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate

C11H9NO4 — CID 23171245

IUPAC(2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate
SMILESO=C(O)Oc1ccc2c(c1)NC(=O)C21CC1
InChIInChI=1S/C11H9NO4/c13-9-11(3-4-11)7-2-1-6(16-10(14)15)5-8(7)12-9/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChIKeyRRZXBXMXYHMDQI-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.73
Rot. Bonds1

About (2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate

(2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate (PubChem CID 23171245) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate
PubChem CID23171245
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name(2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate
SMILESO=C(O)Oc1ccc2c(c1)NC(=O)C21CC1
InChIInChI=1S/C11H9NO4/c13-9-11(3-4-11)7-2-1-6(16-10(14)15)5-8(7)12-9/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChIKeyRRZXBXMXYHMDQI-UHFFFAOYSA-N
XLogP1.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate?
The IUPAC name of (2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate (CID 23171245) is (2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate.
What is the SMILES notation for (2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate?
The canonical SMILES for (2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate is O=C(O)Oc1ccc2c(c1)NC(=O)C21CC1.
What is the InChIKey of (2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate?
The InChIKey is RRZXBXMXYHMDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-9-11(3-4-11)7-2-1-6(16-10(14)15)5-8(7)12-9/h1-2,5H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of (2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate?
(2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate has a molecular weight of 219.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate is sourced from PubChem (CID 23171245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).