3-benzhydryl-3-methylpyrrolidine-2,5-dione

C18H17NO2 — CID 43155393

IUPAC3-benzhydryl-3-methylpyrrolidine-2,5-dione
SMILESCC1(C(c2ccccc2)c2ccccc2)CC(=O)NC1=O
InChIInChI=1S/C18H17NO2/c1-18(12-15(20)19-17(18)21)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,19,20,21)
InChIKeyIDEZIYYXSLICCH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.87
Rot. Bonds3

About 3-benzhydryl-3-methylpyrrolidine-2,5-dione

3-benzhydryl-3-methylpyrrolidine-2,5-dione (PubChem CID 43155393) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-benzhydryl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzhydryl-3-methylpyrrolidine-2,5-dione
PubChem CID43155393
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-benzhydryl-3-methylpyrrolidine-2,5-dione
SMILESCC1(C(c2ccccc2)c2ccccc2)CC(=O)NC1=O
InChIInChI=1S/C18H17NO2/c1-18(12-15(20)19-17(18)21)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,19,20,21)
InChIKeyIDEZIYYXSLICCH-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione
CID 91344865
methyl 4-[(1R)-1-[(3R)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzoate;methyl 4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzoate
CID 160944375
3-methyl-3-pyridin-2-ylpyrrolidine-2,5-dione
CID 43155363
4-[(2R)-2-amino-2-phenylacetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075011
2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid
CID 161371718
3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid
CID 87188920
3-benzyl-3-phenylpyrrolidine-2,5-dione
CID 2843283
3-methyl-3-sulfanylpyrrolidine-2,5-dione
CID 159261890
(3S)-3-[(1R)-1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione
CID 142474474
(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 124527239
3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one
CID 11140338
(3S)-3-methyl-3-phenylpiperazin-2-one
CID 94410308

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-benzhydryl-3-methylpyrrolidine-2,5-dione (CID 43155393) is 3-benzhydryl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzhydryl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-benzhydryl-3-methylpyrrolidine-2,5-dione is CC1(C(c2ccccc2)c2ccccc2)CC(=O)NC1=O.
What is the InChIKey of 3-benzhydryl-3-methylpyrrolidine-2,5-dione?
The InChIKey is IDEZIYYXSLICCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-18(12-15(20)19-17(18)21)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,19,20,21).
What are the key properties of 3-benzhydryl-3-methylpyrrolidine-2,5-dione?
3-benzhydryl-3-methylpyrrolidine-2,5-dione has a molecular weight of 279.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 43155393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).