spiro[1H-indole-3,2'-oxirane]-2-one

C9H7NO2 — CID 15187162

IUPACspiro[1H-indole-3,2'-oxirane]-2-one
SMILESO=C1Nc2ccccc2C12CO2
InChIInChI=1S/C9H7NO2/c11-8-9(5-12-9)6-3-1-2-4-7(6)10-8/h1-4H,5H2,(H,10,11)
InChIKeyCAKLDVBKFYKIQK-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.86
Rot. Bonds

About spiro[1H-indole-3,2'-oxirane]-2-one

spiro[1H-indole-3,2'-oxirane]-2-one (PubChem CID 15187162) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is spiro[1H-indole-3,2'-oxirane]-2-one.

Molecular Properties

Compound Namespiro[1H-indole-3,2'-oxirane]-2-one
PubChem CID15187162
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Namespiro[1H-indole-3,2'-oxirane]-2-one
SMILESO=C1Nc2ccccc2C12CO2
InChIInChI=1S/C9H7NO2/c11-8-9(5-12-9)6-3-1-2-4-7(6)10-8/h1-4H,5H2,(H,10,11)
InChIKeyCAKLDVBKFYKIQK-UHFFFAOYSA-N
XLogP0.86
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-indole-3,2'-oxirane]-2-one?
The IUPAC name of spiro[1H-indole-3,2'-oxirane]-2-one (CID 15187162) is spiro[1H-indole-3,2'-oxirane]-2-one.
What is the SMILES notation for spiro[1H-indole-3,2'-oxirane]-2-one?
The canonical SMILES for spiro[1H-indole-3,2'-oxirane]-2-one is O=C1Nc2ccccc2C12CO2.
What is the InChIKey of spiro[1H-indole-3,2'-oxirane]-2-one?
The InChIKey is CAKLDVBKFYKIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-9(5-12-9)6-3-1-2-4-7(6)10-8/h1-4H,5H2,(H,10,11).
What are the key properties of spiro[1H-indole-3,2'-oxirane]-2-one?
spiro[1H-indole-3,2'-oxirane]-2-one has a molecular weight of 161.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-indole-3,2'-oxirane]-2-one is sourced from PubChem (CID 15187162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).