1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione

C20H17NO3 — CID 122459568

IUPAC1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC2(c3ccccc3)OC2c2ccccc2)C1=O
InChIInChI=1S/C20H17NO3/c1-14-12-17(22)21(19(14)23)13-20(16-10-6-3-7-11-16)18(24-20)15-8-4-2-5-9-15/h2-12,18H,13H2,1H3
InChIKeyDMUFURCBVPOARL-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.97
Rot. Bonds4

About 1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione

1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione (PubChem CID 122459568) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione
PubChem CID122459568
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC2(c3ccccc3)OC2c2ccccc2)C1=O
InChIInChI=1S/C20H17NO3/c1-14-12-17(22)21(19(14)23)13-20(16-10-6-3-7-11-16)18(24-20)15-8-4-2-5-9-15/h2-12,18H,13H2,1H3
InChIKeyDMUFURCBVPOARL-UHFFFAOYSA-N
XLogP2.97
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)ethanone
CID 44444631
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)propan-1-one
CID 44444637
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)-2-methylpropan-1-one
CID 44444638
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 44444640
Cinnamic acid, (2-(dimethylamino)-1-phenyl)ethyl ester
CID 6435001
Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester
CID 6435700
1-[(3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-phenylpyrrolidin-1-yl]ethanone
CID 44444713
1-Methyl-4-(2-phenylmorpholine-4-carbonyl)pyridin-2-one
CID 118740646
2,2-Dimethyl-1-(2-phenylmorpholino)propan-1-one
CID 16894672
(E)-1-[(4S,5R)-4-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-phenylprop-2-en-1-one
CID 11278748
Tert-butyl 1-phenyl-6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 132327653
2-methyl-1-[(R)-2-phenyl-4-morpholinyl]-1-propanone
CID 51641447

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione (CID 122459568) is 1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CC2(c3ccccc3)OC2c2ccccc2)C1=O.
What is the InChIKey of 1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione?
The InChIKey is DMUFURCBVPOARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-14-12-17(22)21(19(14)23)13-20(16-10-6-3-7-11-16)18(24-20)15-8-4-2-5-9-15/h2-12,18H,13H2,1H3.
What are the key properties of 1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione?
1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione has a molecular weight of 319.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 122459568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).