3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one

C23H19N3O5 — CID 44667431

IUPAC3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCN1CC(c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccco2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C23H19N3O5/c1-25-13-16(14-8-10-15(11-9-14)26(29)30)20(21(27)19-7-4-12-31-19)23(25)17-5-2-3-6-18(17)24-22(23)28/h2-12,16,20H,13H2,1H3,(H,24,28)
InChIKeyZXABMUGOSSOPLJ-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.56
Rot. Bonds4

About 3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one

3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 44667431) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is 3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID44667431
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCN1CC(c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccco2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C23H19N3O5/c1-25-13-16(14-8-10-15(11-9-14)26(29)30)20(21(27)19-7-4-12-31-19)23(25)17-5-2-3-6-18(17)24-22(23)28/h2-12,16,20H,13H2,1H3,(H,24,28)
InChIKeyZXABMUGOSSOPLJ-UHFFFAOYSA-N
XLogP3.56
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of 3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 44667431) is 3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for 3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for 3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is CN1CC(c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccco2)C12C(=O)Nc1ccccc12.
What is the InChIKey of 3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is ZXABMUGOSSOPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-25-13-16(14-8-10-15(11-9-14)26(29)30)20(21(27)19-7-4-12-31-19)23(25)17-5-2-3-6-18(17)24-22(23)28/h2-12,16,20H,13H2,1H3,(H,24,28).
What are the key properties of 3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 417.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(furan-2-carbonyl)-1'-methyl-4'-(4-nitrophenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 44667431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).