2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione

C19H19NO2 — CID 121475898

IUPAC2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione
SMILESCc1ccccc1C(C(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H19NO2/c1-12(2)17(14-9-5-4-8-13(14)3)20-18(21)15-10-6-7-11-16(15)19(20)22/h4-12,17H,1-3H3
InChIKeyNGSSMLZISCPVLN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.99
Rot. Bonds3

About 2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione

2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione (PubChem CID 121475898) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione
PubChem CID121475898
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione
SMILESCc1ccccc1C(C(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H19NO2/c1-12(2)17(14-9-5-4-8-13(14)3)20-18(21)15-10-6-7-11-16(15)19(20)22/h4-12,17H,1-3H3
InChIKeyNGSSMLZISCPVLN-UHFFFAOYSA-N
XLogP3.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
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 2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione (CID 121475898) is 2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione is Cc1ccccc1C(C(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione?
The InChIKey is NGSSMLZISCPVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12(2)17(14-9-5-4-8-13(14)3)20-18(21)15-10-6-7-11-16(15)19(20)22/h4-12,17H,1-3H3.
What are the key properties of 2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione?
2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione has a molecular weight of 293.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 121475898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).