3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione

C15H18N2O2 — CID 103500228

IUPAC3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2cccc3c2CCCN3)C(=O)C1C
InChIInChI=1S/C15H18N2O2/c1-9-10(2)15(19)17(14(9)18)13-7-3-6-12-11(13)5-4-8-16-12/h3,6-7,9-10,16H,4-5,8H2,1-2H3
InChIKeyNANFMFJSGPNITQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds1

About 3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione

3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione (PubChem CID 103500228) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione
PubChem CID103500228
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2cccc3c2CCCN3)C(=O)C1C
InChIInChI=1S/C15H18N2O2/c1-9-10(2)15(19)17(14(9)18)13-7-3-6-12-11(13)5-4-8-16-12/h3,6-7,9-10,16H,4-5,8H2,1-2H3
InChIKeyNANFMFJSGPNITQ-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
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 3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione (CID 103500228) is 3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione is CC1C(=O)N(c2cccc3c2CCCN3)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione?
The InChIKey is NANFMFJSGPNITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-10(2)15(19)17(14(9)18)13-7-3-6-12-11(13)5-4-8-16-12/h3,6-7,9-10,16H,4-5,8H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione?
3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 103500228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).