ethane;1-(2-methylphenyl)pyrrole-2,5-dione

C13H15NO2 — CID 67631676

IUPACethane;1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCC.Cc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H9NO2.C2H6/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14;1-2/h2-7H,1H3;1-2H3
InChIKeySQJRDTLBSYHRMR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.45
Rot. Bonds1

About ethane;1-(2-methylphenyl)pyrrole-2,5-dione

ethane;1-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 67631676) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethane;1-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Nameethane;1-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID67631676
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethane;1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCC.Cc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H9NO2.C2H6/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14;1-2/h2-7H,1H3;1-2H3
InChIKeySQJRDTLBSYHRMR-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.45
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-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione
CID 174784361
1-[2-(2,6-dimethylphenyl)phenyl]pyrrole-2,5-dione
CID 67802796
2-(2,5-dioxopyrrol-1-yl)-6-methylbenzonitrile
CID 107799310
1-(2-methylsulfanylphenyl)pyrrole-2,5-dione
CID 708768
1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione
CID 141169965
6-(aminomethyl)-3-(2-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009994
1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline
CID 175561101
3-(2-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 24956670
3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione
CID 731383
4-bromo-2-(2-methylphenyl)isoindole-1,3-dione
CID 169336941
6-(2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 695615
1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione
CID 69214872

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of ethane;1-(2-methylphenyl)pyrrole-2,5-dione (CID 67631676) is ethane;1-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for ethane;1-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for ethane;1-(2-methylphenyl)pyrrole-2,5-dione is CC.Cc1ccccc1N1C(=O)C=CC1=O.
What is the InChIKey of ethane;1-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is SQJRDTLBSYHRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2.C2H6/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;1-(2-methylphenyl)pyrrole-2,5-dione?
ethane;1-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 67631676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).