(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione

C14H14N2O3 — CID 162402033

IUPAC(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
SMILESCN1C(=O)C[C@@]2(CC(=O)N(C)c3ccccc32)C1=O
InChIInChI=1S/C14H14N2O3/c1-15-10-6-4-3-5-9(10)14(7-11(15)17)8-12(18)16(2)13(14)19/h3-6H,7-8H2,1-2H3/t14-/m1/s1
InChIKeyVZYGOURFIIOULQ-CQSZACIVSA-N
MW258.28 g/mol
LogP0.68
Rot. Bonds

About (4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione

(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione (PubChem CID 162402033) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione.

Molecular Properties

Compound Name(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
PubChem CID162402033
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
SMILESCN1C(=O)C[C@@]2(CC(=O)N(C)c3ccccc32)C1=O
InChIInChI=1S/C14H14N2O3/c1-15-10-6-4-3-5-9(10)14(7-11(15)17)8-12(18)16(2)13(14)19/h3-6H,7-8H2,1-2H3/t14-/m1/s1
InChIKeyVZYGOURFIIOULQ-CQSZACIVSA-N
XLogP0.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione?
The IUPAC name of (4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione (CID 162402033) is (4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione.
What is the SMILES notation for (4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione?
The canonical SMILES for (4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione is CN1C(=O)C[C@@]2(CC(=O)N(C)c3ccccc32)C1=O.
What is the InChIKey of (4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione?
The InChIKey is VZYGOURFIIOULQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-15-10-6-4-3-5-9(10)14(7-11(15)17)8-12(18)16(2)13(14)19/h3-6H,7-8H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione?
(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione has a molecular weight of 258.28 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione is sourced from PubChem (CID 162402033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).