1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione

C19H19NO2 — CID 25178848

IUPAC1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C(c2ccccc2)N2C(=O)CCC2=O)cc1C
InChIInChI=1S/C19H19NO2/c1-13-8-9-16(12-14(13)2)19(15-6-4-3-5-7-15)20-17(21)10-11-18(20)22/h3-9,12,19H,10-11H2,1-2H3
InChIKeyFSIPQHOPUOBPMT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.54
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione

1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione (PubChem CID 25178848) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione
PubChem CID25178848
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C(c2ccccc2)N2C(=O)CCC2=O)cc1C
InChIInChI=1S/C19H19NO2/c1-13-8-9-16(12-14(13)2)19(15-6-4-3-5-7-15)20-17(21)10-11-18(20)22/h3-9,12,19H,10-11H2,1-2H3
InChIKeyFSIPQHOPUOBPMT-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione
CID 25180390
1-[1,3-benzodioxol-5-yl(phenyl)methyl]pyrrolidine-2,5-dione
CID 25178656
3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione
CID 23321812
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
6,13-dibenzhydryl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 4561521
1-[2-amino-2-(3,4-dimethylphenyl)ethyl]azepane-2,7-dione
CID 43447586
(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 15373975
phenyl (2R)-2-(3,4-dimethylphenyl)propanoate
CID 141470934
1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione
CID 70230036
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
1-benzhydryl-4,6,8-trimethylquinolin-2-one
CID 39765002
N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685384

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione (CID 25178848) is 1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione is Cc1ccc(C(c2ccccc2)N2C(=O)CCC2=O)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione?
The InChIKey is FSIPQHOPUOBPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-8-9-16(12-14(13)2)19(15-6-4-3-5-7-15)20-17(21)10-11-18(20)22/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione?
1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione has a molecular weight of 293.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 25178848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).