4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione

C15H16N2O4 — CID 66074961

IUPAC4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H16N2O4/c1-15(2)14(20)16-12(18)8-17(15)13(19)11-7-9-5-3-4-6-10(9)21-11/h3-6,11H,7-8H2,1-2H3,(H,16,18,20)
InChIKeyNMJJYHZYTIULNY-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.25
Rot. Bonds1

About 4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione

4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66074961) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66074961
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H16N2O4/c1-15(2)14(20)16-12(18)8-17(15)13(19)11-7-9-5-3-4-6-10(9)21-11/h3-6,11H,7-8H2,1-2H3,(H,16,18,20)
InChIKeyNMJJYHZYTIULNY-UHFFFAOYSA-N
XLogP0.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.25
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-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione (CID 66074961) is 4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)C1Cc2ccccc2O1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is NMJJYHZYTIULNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(2)14(20)16-12(18)8-17(15)13(19)11-7-9-5-3-4-6-10(9)21-11/h3-6,11H,7-8H2,1-2H3,(H,16,18,20).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 288.30 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66074961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).