2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine

C13H22N2O2 — CID 178085358

IUPAC2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine
SMILESCC.CC1=C2C(=O)N(C)C(=O)C2=CCC1.CN
InChIInChI=1S/C10H11NO2.C2H6.CH5N/c1-6-4-3-5-7-8(6)10(13)11(2)9(7)12;2*1-2/h5H,3-4H2,1-2H3;1-2H3;2H2,1H3
InChIKeyIUZVAENPQOPLKU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.62
Rot. Bonds

About 2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine

2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine (PubChem CID 178085358) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine.

Molecular Properties

Compound Name2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine
PubChem CID178085358
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine
SMILESCC.CC1=C2C(=O)N(C)C(=O)C2=CCC1.CN
InChIInChI=1S/C10H11NO2.C2H6.CH5N/c1-6-4-3-5-7-8(6)10(13)11(2)9(7)12;2*1-2/h5H,3-4H2,1-2H3;1-2H3;2H2,1H3
InChIKeyIUZVAENPQOPLKU-UHFFFAOYSA-N
XLogP1.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5,6-dihydroisoindole-1,3-dione;oxirane
CID 163245849
3-(cyclohexen-1-yl)-1,4-dimethylpyrrole-2,5-dione
CID 70597103
4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione
CID 174113283
ethane;1-methylcyclobutene
CID 91484029
5,6-dimethylcyclohexa-1,5-dien-1-amine
CID 143080216
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one
CID 11469549
ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione
CID 169161651
7,17-dimethyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,5(9),11,15(19)-pentaene-6,8,16,18-tetrone;ethane
CID 123946447
2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione
CID 167189611
1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene
CID 173123090
1-methylcyclobutene;sulfane
CID 90109296

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine?
The IUPAC name of 2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine (CID 178085358) is 2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine.
What is the SMILES notation for 2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine?
The canonical SMILES for 2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine is CC.CC1=C2C(=O)N(C)C(=O)C2=CCC1.CN.
What is the InChIKey of 2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine?
The InChIKey is IUZVAENPQOPLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C2H6.CH5N/c1-6-4-3-5-7-8(6)10(13)11(2)9(7)12;2*1-2/h5H,3-4H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of 2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine?
2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5,6-dihydroisoindole-1,3-dione;ethane;methanamine is sourced from PubChem (CID 178085358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).