4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione

C15H18N2O3 — CID 103549560

IUPAC4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(CC1COCCN1)C2=O
InChIInChI=1S/C15H18N2O3/c1-9-3-4-10(2)13-12(9)14(18)17(15(13)19)7-11-8-20-6-5-16-11/h3-4,11,16H,5-8H2,1-2H3
InChIKeyPADGJUDAVMOMSX-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.89
Rot. Bonds2

About 4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione

4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione (PubChem CID 103549560) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
PubChem CID103549560
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(CC1COCCN1)C2=O
InChIInChI=1S/C15H18N2O3/c1-9-3-4-10(2)13-12(9)14(18)17(15(13)19)7-11-8-20-6-5-16-11/h3-4,11,16H,5-8H2,1-2H3
InChIKeyPADGJUDAVMOMSX-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
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 4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione (CID 103549560) is 4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(CC1COCCN1)C2=O.
What is the InChIKey of 4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione?
The InChIKey is PADGJUDAVMOMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-3-4-10(2)13-12(9)14(18)17(15(13)19)7-11-8-20-6-5-16-11/h3-4,11,16H,5-8H2,1-2H3.
What are the key properties of 4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione?
4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione has a molecular weight of 274.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 103549560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).