1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione

C20H20N2O2 — CID 11565973

IUPAC1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
SMILESCN1Cc2ccccc2[C@H](c2ccccc2N2C(=O)CCC2=O)C1
InChIInChI=1S/C20H20N2O2/c1-21-12-14-6-2-3-7-15(14)17(13-21)16-8-4-5-9-18(16)22-19(23)10-11-20(22)24/h2-9,17H,10-13H2,1H3/t17-/m1/s1
InChIKeyHMZKDKASOWUTMR-QGZVFWFLSA-N
MW320.39 g/mol
LogP2.92
Rot. Bonds2

About 1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione

1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione (PubChem CID 11565973) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
PubChem CID11565973
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
SMILESCN1Cc2ccccc2[C@H](c2ccccc2N2C(=O)CCC2=O)C1
InChIInChI=1S/C20H20N2O2/c1-21-12-14-6-2-3-7-15(14)17(13-21)16-8-4-5-9-18(16)22-19(23)10-11-20(22)24/h2-9,17H,10-13H2,1H3/t17-/m1/s1
InChIKeyHMZKDKASOWUTMR-QGZVFWFLSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
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 1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione (CID 11565973) is 1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione is CN1Cc2ccccc2[C@H](c2ccccc2N2C(=O)CCC2=O)C1.
What is the InChIKey of 1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is HMZKDKASOWUTMR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-21-12-14-6-2-3-7-15(14)17(13-21)16-8-4-5-9-18(16)22-19(23)10-11-20(22)24/h2-9,17H,10-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 320.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11565973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).