3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione

C15H17NO2 — CID 113306146

IUPAC3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCC(C2CC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-9-6-7-12(11-5-3-2-4-10(9)11)13-8-14(17)16-15(13)18/h2-5,9,12-13H,6-8H2,1H3,(H,16,17,18)
InChIKeyZGXHXBTUNDHWOH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.33
Rot. Bonds1

About 3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione

3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione (PubChem CID 113306146) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione
PubChem CID113306146
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCC(C2CC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-9-6-7-12(11-5-3-2-4-10(9)11)13-8-14(17)16-15(13)18/h2-5,9,12-13H,6-8H2,1H3,(H,16,17,18)
InChIKeyZGXHXBTUNDHWOH-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione (CID 113306146) is 3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione is CC1CCC(C2CC(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione?
The InChIKey is ZGXHXBTUNDHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9-6-7-12(11-5-3-2-4-10(9)11)13-8-14(17)16-15(13)18/h2-5,9,12-13H,6-8H2,1H3,(H,16,17,18).
What are the key properties of 3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione?
3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione has a molecular weight of 243.31 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 113306146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).