2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

C12H13N3O2 — CID 154879377

IUPAC2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESNC(=O)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C12H13N3O2/c13-11(17)15-6-5-12(7-15)8-3-1-2-4-9(8)14-10(12)16/h1-4H,5-7H2,(H2,13,17)(H,14,16)
InChIKeyXAEWXEWQOYJIFK-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.66
Rot. Bonds

About 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 154879377) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID154879377
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESNC(=O)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C12H13N3O2/c13-11(17)15-6-5-12(7-15)8-3-1-2-4-9(8)14-10(12)16/h1-4H,5-7H2,(H2,13,17)(H,14,16)
InChIKeyXAEWXEWQOYJIFK-UHFFFAOYSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (CID 154879377) is 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is NC(=O)N1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is XAEWXEWQOYJIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-11(17)15-6-5-12(7-15)8-3-1-2-4-9(8)14-10(12)16/h1-4H,5-7H2,(H2,13,17)(H,14,16).
What are the key properties of 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 154879377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).