3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C21H24N4O4 — CID 166226281

IUPAC3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C(=O)N1CCC2(C1)C(=O)Nc1ccccc12)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C21H24N4O4/c1-13(25-18(28)21(23-19(25)29)8-4-5-9-21)16(26)24-11-10-20(12-24)14-6-2-3-7-15(14)22-17(20)27/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,22,27)(H,23,29)
InChIKeyTWPWBILXYSSQLT-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.36
Rot. Bonds2

About 3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 166226281) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID166226281
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C(=O)N1CCC2(C1)C(=O)Nc1ccccc12)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C21H24N4O4/c1-13(25-18(28)21(23-19(25)29)8-4-5-9-21)16(26)24-11-10-20(12-24)14-6-2-3-7-15(14)22-17(20)27/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,22,27)(H,23,29)
InChIKeyTWPWBILXYSSQLT-UHFFFAOYSA-N
XLogP1.36
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 166226281) is 3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CC(C(=O)N1CCC2(C1)C(=O)Nc1ccccc12)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is TWPWBILXYSSQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13(25-18(28)21(23-19(25)29)8-4-5-9-21)16(26)24-11-10-20(12-24)14-6-2-3-7-15(14)22-17(20)27/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,22,27)(H,23,29).
What are the key properties of 3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 396.45 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 166226281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).