5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione

C18H16N2O2 — CID 91199484

IUPAC5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(CN3Cc4ccccc4C3)cc2C1=O
InChIInChI=1S/C18H16N2O2/c1-19-17(21)15-7-6-12(8-16(15)18(19)22)9-20-10-13-4-2-3-5-14(13)11-20/h2-8H,9-11H2,1H3
InChIKeyCLXPEFYSPDKDPE-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.43
Rot. Bonds2

About 5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione

5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione (PubChem CID 91199484) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione
PubChem CID91199484
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(CN3Cc4ccccc4C3)cc2C1=O
InChIInChI=1S/C18H16N2O2/c1-19-17(21)15-7-6-12(8-16(15)18(19)22)9-20-10-13-4-2-3-5-14(13)11-20/h2-8H,9-11H2,1H3
InChIKeyCLXPEFYSPDKDPE-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione
CID 143335808
ethane;2-methyl-1,3-dihydroisoindole;2-methylisoindole-1,3-dione;1-methylpyrrolidine
CID 158129896
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione
CID 58078332
ethane;methane;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;bis(prop-1-yne)
CID 158185067
5-(1,3-dihydroisoindol-2-ylmethyl)-2-fluoroaniline
CID 117221486
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
2-(2,4-dioxo-1,3-diazinan-1-yl)-5-[(4-phenylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 172611076
(3aS,6aR)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(3,4-dimethylphenyl)methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916045

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione (CID 91199484) is 5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(CN3Cc4ccccc4C3)cc2C1=O.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione?
The InChIKey is CLXPEFYSPDKDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-19-17(21)15-7-6-12(8-16(15)18(19)22)9-20-10-13-4-2-3-5-14(13)11-20/h2-8H,9-11H2,1H3.
What are the key properties of 5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione?
5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione has a molecular weight of 292.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindol-2-ylmethyl)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 91199484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).