spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one

C13H9N3O2 — CID 156766338

IUPACspiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one
SMILESO=C1Nc2ccccc2C12C=COc1[nH]ncc12
InChIInChI=1S/C13H9N3O2/c17-12-13(8-3-1-2-4-10(8)15-12)5-6-18-11-9(13)7-14-16-11/h1-7H,(H,14,16)(H,15,17)
InChIKeyQALIBZPJSKSGCL-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.55
Rot. Bonds

About spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one

spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one (PubChem CID 156766338) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one.

Molecular Properties

Compound Namespiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one
PubChem CID156766338
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Namespiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one
SMILESO=C1Nc2ccccc2C12C=COc1[nH]ncc12
InChIInChI=1S/C13H9N3O2/c17-12-13(8-3-1-2-4-10(8)15-12)5-6-18-11-9(13)7-14-16-11/h1-7H,(H,14,16)(H,15,17)
InChIKeyQALIBZPJSKSGCL-UHFFFAOYSA-N
XLogP1.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one?
The IUPAC name of spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one (CID 156766338) is spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one.
What is the SMILES notation for spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one?
The canonical SMILES for spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one is O=C1Nc2ccccc2C12C=COc1[nH]ncc12.
What is the InChIKey of spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one?
The InChIKey is QALIBZPJSKSGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-12-13(8-3-1-2-4-10(8)15-12)5-6-18-11-9(13)7-14-16-11/h1-7H,(H,14,16)(H,15,17).
What are the key properties of spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one?
spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one has a molecular weight of 239.23 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-indole-3,4'-1H-pyrano[3,2-d]pyrazole]-2-one is sourced from PubChem (CID 156766338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).