5-methyl-2-morpholin-4-ylisoindole-1,3-dione

C13H14N2O3 — CID 70638046

IUPAC5-methyl-2-morpholin-4-ylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(N1CCOCC1)C2=O
InChIInChI=1S/C13H14N2O3/c1-9-2-3-10-11(8-9)13(17)15(12(10)16)14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyFTRVTGHGZPIWPU-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.84
Rot. Bonds1

About 5-methyl-2-morpholin-4-ylisoindole-1,3-dione

5-methyl-2-morpholin-4-ylisoindole-1,3-dione (PubChem CID 70638046) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-methyl-2-morpholin-4-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-morpholin-4-ylisoindole-1,3-dione
PubChem CID70638046
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-methyl-2-morpholin-4-ylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(N1CCOCC1)C2=O
InChIInChI=1S/C13H14N2O3/c1-9-2-3-10-11(8-9)13(17)15(12(10)16)14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyFTRVTGHGZPIWPU-UHFFFAOYSA-N
XLogP0.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-morpholin-4-ylisoindole-1,3-dione?
The IUPAC name of 5-methyl-2-morpholin-4-ylisoindole-1,3-dione (CID 70638046) is 5-methyl-2-morpholin-4-ylisoindole-1,3-dione.
What is the SMILES notation for 5-methyl-2-morpholin-4-ylisoindole-1,3-dione?
The canonical SMILES for 5-methyl-2-morpholin-4-ylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(N1CCOCC1)C2=O.
What is the InChIKey of 5-methyl-2-morpholin-4-ylisoindole-1,3-dione?
The InChIKey is FTRVTGHGZPIWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-2-3-10-11(8-9)13(17)15(12(10)16)14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of 5-methyl-2-morpholin-4-ylisoindole-1,3-dione?
5-methyl-2-morpholin-4-ylisoindole-1,3-dione has a molecular weight of 246.27 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-morpholin-4-ylisoindole-1,3-dione is sourced from PubChem (CID 70638046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).