2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde

C11H9NO2 — CID 90105604

IUPAC2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)NC(=O)C21CC1
InChIInChI=1S/C11H9NO2/c13-6-7-1-2-8-9(5-7)12-10(14)11(8)3-4-11/h1-2,5-6H,3-4H2,(H,12,14)
InChIKeyIJUYPUBVBLVDMK-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.48
Rot. Bonds1

About 2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde

2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde (PubChem CID 90105604) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde.

Molecular Properties

Compound Name2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde
PubChem CID90105604
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)NC(=O)C21CC1
InChIInChI=1S/C11H9NO2/c13-6-7-1-2-8-9(5-7)12-10(14)11(8)3-4-11/h1-2,5-6H,3-4H2,(H,12,14)
InChIKeyIJUYPUBVBLVDMK-UHFFFAOYSA-N
XLogP1.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde?
The IUPAC name of 2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde (CID 90105604) is 2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde.
What is the SMILES notation for 2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde?
The canonical SMILES for 2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde is O=Cc1ccc2c(c1)NC(=O)C21CC1.
What is the InChIKey of 2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde?
The InChIKey is IJUYPUBVBLVDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-6-7-1-2-8-9(5-7)12-10(14)11(8)3-4-11/h1-2,5-6H,3-4H2,(H,12,14).
What are the key properties of 2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde?
2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde is sourced from PubChem (CID 90105604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).