1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione

C24H26N2O2 — CID 10248845

IUPAC1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione
SMILESCCN(CC)CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C24H26N2O2/c1-3-25(4-2)17-11-12-18-26-22(27)19-24(23(26)28,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16H,3-4,17-19H2,1-2H3
InChIKeyCBISQPJLYSUKOF-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.08
Rot. Bonds6

About 1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione

1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione (PubChem CID 10248845) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione
PubChem CID10248845
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione
SMILESCCN(CC)CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C24H26N2O2/c1-3-25(4-2)17-11-12-18-26-22(27)19-24(23(26)28,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16H,3-4,17-19H2,1-2H3
InChIKeyCBISQPJLYSUKOF-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione (CID 10248845) is 1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione is CCN(CC)CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione?
The InChIKey is CBISQPJLYSUKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-25(4-2)17-11-12-18-26-22(27)19-24(23(26)28,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16H,3-4,17-19H2,1-2H3.
What are the key properties of 1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione?
1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione has a molecular weight of 374.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)but-2-ynyl]-3,3-diphenylpyrrolidine-2,5-dione is sourced from PubChem (CID 10248845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).