5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione

C21H18N2O4 — CID 58078332

IUPAC5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione
SMILESCCCN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C21H18N2O4/c1-3-8-23-20(26)15-7-5-13(11-17(15)21(23)27)9-12-4-6-14-16(10-12)19(25)22(2)18(14)24/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyOMPIODHHIWZZFG-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.51
Rot. Bonds4

About 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione

5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione (PubChem CID 58078332) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione
PubChem CID58078332
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione
SMILESCCCN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C21H18N2O4/c1-3-8-23-20(26)15-7-5-13(11-17(15)21(23)27)9-12-4-6-14-16(10-12)19(25)22(2)18(14)24/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyOMPIODHHIWZZFG-UHFFFAOYSA-N
XLogP2.51
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.51
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-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione (CID 58078332) is 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione is CCCN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.
What is the InChIKey of 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione?
The InChIKey is OMPIODHHIWZZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-3-8-23-20(26)15-7-5-13(11-17(15)21(23)27)9-12-4-6-14-16(10-12)19(25)22(2)18(14)24/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione?
5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione has a molecular weight of 362.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxo-2-propylisoindol-5-yl)methyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 58078332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).