2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione

C16H16N2O3 — CID 43192242

IUPAC2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione
SMILESCc1ccc(C(C)Nc2ccc3c(c2)C(=O)N(C)C3=O)o1
InChIInChI=1S/C16H16N2O3/c1-9-4-7-14(21-9)10(2)17-11-5-6-12-13(8-11)16(20)18(3)15(12)19/h4-8,10,17H,1-3H3
InChIKeyHLGOSWBPYPWGEJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.99
Rot. Bonds3

About 2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione

2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione (PubChem CID 43192242) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione
PubChem CID43192242
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione
SMILESCc1ccc(C(C)Nc2ccc3c(c2)C(=O)N(C)C3=O)o1
InChIInChI=1S/C16H16N2O3/c1-9-4-7-14(21-9)10(2)17-11-5-6-12-13(8-11)16(20)18(3)15(12)19/h4-8,10,17H,1-3H3
InChIKeyHLGOSWBPYPWGEJ-UHFFFAOYSA-N
XLogP2.99
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.99
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 2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione (CID 43192242) is 2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione is Cc1ccc(C(C)Nc2ccc3c(c2)C(=O)N(C)C3=O)o1.
What is the InChIKey of 2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione?
The InChIKey is HLGOSWBPYPWGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-4-7-14(21-9)10(2)17-11-5-6-12-13(8-11)16(20)18(3)15(12)19/h4-8,10,17H,1-3H3.
What are the key properties of 2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione?
2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione has a molecular weight of 284.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 43192242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).