5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane

C20H19NO4 — CID 143934002

IUPAC5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane
SMILESCC.CC(=O)c1cc2c(cc1C(C)=O)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C18H13NO4.C2H6/c1-10(20)13-8-15-16(9-14(13)11(2)21)18(23)19(17(15)22)12-6-4-3-5-7-12;1-2/h3-9H,1-2H3;1-2H3
InChIKeyDRSNRZMOEIYSOD-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.92
Rot. Bonds3

About 5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane

5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane (PubChem CID 143934002) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane.

Molecular Properties

Compound Name5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane
PubChem CID143934002
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane
SMILESCC.CC(=O)c1cc2c(cc1C(C)=O)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C18H13NO4.C2H6/c1-10(20)13-8-15-16(9-14(13)11(2)21)18(23)19(17(15)22)12-6-4-3-5-7-12;1-2/h3-9H,1-2H3;1-2H3
InChIKeyDRSNRZMOEIYSOD-UHFFFAOYSA-N
XLogP3.92
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.92
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 5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane?
The IUPAC name of 5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane (CID 143934002) is 5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane.
What is the SMILES notation for 5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane?
The canonical SMILES for 5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane is CC.CC(=O)c1cc2c(cc1C(C)=O)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane?
The InChIKey is DRSNRZMOEIYSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4.C2H6/c1-10(20)13-8-15-16(9-14(13)11(2)21)18(23)19(17(15)22)12-6-4-3-5-7-12;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of 5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane?
5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane has a molecular weight of 337.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diacetyl-2-phenylisoindole-1,3-dione;ethane is sourced from PubChem (CID 143934002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).