3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione

C15H17NO3 — CID 81142189

IUPAC3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione
SMILESCC1(C)CC(C2CC(=O)NC2=O)c2ccccc2O1
InChIInChI=1S/C15H17NO3/c1-15(2)8-11(10-7-13(17)16-14(10)18)9-5-3-4-6-12(9)19-15/h3-6,10-11H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyYBUHSOHCXFPOCB-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.99
Rot. Bonds1

About 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione

3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione (PubChem CID 81142189) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione
PubChem CID81142189
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione
SMILESCC1(C)CC(C2CC(=O)NC2=O)c2ccccc2O1
InChIInChI=1S/C15H17NO3/c1-15(2)8-11(10-7-13(17)16-14(10)18)9-5-3-4-6-12(9)19-15/h3-6,10-11H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyYBUHSOHCXFPOCB-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.99
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 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione (CID 81142189) is 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione is CC1(C)CC(C2CC(=O)NC2=O)c2ccccc2O1.
What is the InChIKey of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione?
The InChIKey is YBUHSOHCXFPOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2)8-11(10-7-13(17)16-14(10)18)9-5-3-4-6-12(9)19-15/h3-6,10-11H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione?
3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione has a molecular weight of 259.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 81142189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).