2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione

C16H12N2O3 — CID 10265653

IUPAC2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCN1C(=O)c2cc3ccccc3cc2C12CC(=O)NC2=O
InChIInChI=1S/C16H12N2O3/c1-18-14(20)11-6-9-4-2-3-5-10(9)7-12(11)16(18)8-13(19)17-15(16)21/h2-7H,8H2,1H3,(H,17,19,21)
InChIKeyKGKCSQHSKCCIHD-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.17
Rot. Bonds

About 2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione

2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione (PubChem CID 10265653) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione.

Molecular Properties

Compound Name2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione
PubChem CID10265653
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCN1C(=O)c2cc3ccccc3cc2C12CC(=O)NC2=O
InChIInChI=1S/C16H12N2O3/c1-18-14(20)11-6-9-4-2-3-5-10(9)7-12(11)16(18)8-13(19)17-15(16)21/h2-7H,8H2,1H3,(H,17,19,21)
InChIKeyKGKCSQHSKCCIHD-UHFFFAOYSA-N
XLogP1.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
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 2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The IUPAC name of 2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione (CID 10265653) is 2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione.
What is the SMILES notation for 2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The canonical SMILES for 2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione is CN1C(=O)c2cc3ccccc3cc2C12CC(=O)NC2=O.
What is the InChIKey of 2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The InChIKey is KGKCSQHSKCCIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-18-14(20)11-6-9-4-2-3-5-10(9)7-12(11)16(18)8-13(19)17-15(16)21/h2-7H,8H2,1H3,(H,17,19,21).
What are the key properties of 2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione has a molecular weight of 280.28 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[benzo[f]isoindole-3,3'-pyrrolidine]-1,2',5'-trione is sourced from PubChem (CID 10265653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).