2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione

C27H22N2O4 — CID 146126774

IUPAC2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione
SMILESO=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCC2(CCc3ccccc3O2)C1
InChIInChI=1S/C27H22N2O4/c30-24(28-15-14-27(17-28)13-12-18-6-1-4-11-23(18)33-27)19-7-5-8-20(16-19)29-25(31)21-9-2-3-10-22(21)26(29)32/h1-11,16H,12-15,17H2
InChIKeyQBRSZRFQYCCUGL-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.10
Rot. Bonds2

About 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione

2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione (PubChem CID 146126774) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione
PubChem CID146126774
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Name2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione
SMILESO=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCC2(CCc3ccccc3O2)C1
InChIInChI=1S/C27H22N2O4/c30-24(28-15-14-27(17-28)13-12-18-6-1-4-11-23(18)33-27)19-7-5-8-20(16-19)29-25(31)21-9-2-3-10-22(21)26(29)32/h1-11,16H,12-15,17H2
InChIKeyQBRSZRFQYCCUGL-UHFFFAOYSA-N
XLogP4.10
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione (CID 146126774) is 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione is O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCC2(CCc3ccccc3O2)C1.
What is the InChIKey of 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione?
The InChIKey is QBRSZRFQYCCUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c30-24(28-15-14-27(17-28)13-12-18-6-1-4-11-23(18)33-27)19-7-5-8-20(16-19)29-25(31)21-9-2-3-10-22(21)26(29)32/h1-11,16H,12-15,17H2.
What are the key properties of 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione?
2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione has a molecular weight of 438.48 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 146126774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).