2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione

C20H19N3O5 — CID 143553411

IUPAC2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=CC1=O.CN1C(=O)c2ccccc2C1=O.Cn1ccccc1=O
InChIInChI=1S/C9H7NO2.C6H7NO.C5H5NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-7-5-3-2-4-6(7)8;1-6-4(7)2-3-5(6)8/h2-5H,1H3;2-5H,1H3;2-3H,1H3
InChIKeyAKPLKJHOPGVEPN-UHFFFAOYSA-N
MW381.39 g/mol
LogP0.84
Rot. Bonds

About 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione

2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione (PubChem CID 143553411) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione
PubChem CID143553411
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=CC1=O.CN1C(=O)c2ccccc2C1=O.Cn1ccccc1=O
InChIInChI=1S/C9H7NO2.C6H7NO.C5H5NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-7-5-3-2-4-6(7)8;1-6-4(7)2-3-5(6)8/h2-5H,1H3;2-5H,1H3;2-3H,1H3
InChIKeyAKPLKJHOPGVEPN-UHFFFAOYSA-N
XLogP0.84
TPSA96.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione with MolForge

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Related Compounds

1-methylpyrrole-2,5-dione;toluene
CID 159040601
2-methylisoindole-1,3-dione;pyridine
CID 174877202
2-methylisoindole-1,3-dione;piperidine
CID 153376535
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione
CID 159383507
2-methyl-3-phosphanylideneisoindol-1-one
CID 142838766
1-(4-methylphenyl)pyridin-2-one
CID 10821386
6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione
CID 155773610
ethane;2-methyl-1,3-dihydroisoindole;2-methylisoindole-1,3-dione;1-methylpyrrolidine
CID 158129896
ethane;bis(2-ethylisoindole-1,3-dione);bis(1-ethylpyrrole-2,5-dione);propane
CID 165095796
2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione
CID 90139758
2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione
CID 174265300

Frequently Asked Questions

What is the IUPAC name of 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione?
The IUPAC name of 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione (CID 143553411) is 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione.
What is the SMILES notation for 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione?
The canonical SMILES for 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione is CN1C(=O)C=CC1=O.CN1C(=O)c2ccccc2C1=O.Cn1ccccc1=O.
What is the InChIKey of 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione?
The InChIKey is AKPLKJHOPGVEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.C6H7NO.C5H5NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-7-5-3-2-4-6(7)8;1-6-4(7)2-3-5(6)8/h2-5H,1H3;2-5H,1H3;2-3H,1H3.
What are the key properties of 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione?
2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione has a molecular weight of 381.39 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylisoindole-1,3-dione;1-methylpyridin-2-one;1-methylpyrrole-2,5-dione is sourced from PubChem (CID 143553411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).