1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride

C17H25ClN2O2 — CID 3057901

IUPAC1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride
SMILESCCN(CC)CCCN1C(=O)CC(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-3-18(4-2)11-8-12-19-16(20)13-15(17(19)21)14-9-6-5-7-10-14;/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3;1H
InChIKeyWTBNAWQBHIHNMF-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.68
Rot. Bonds7

About 1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride

1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride (PubChem CID 3057901) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride
PubChem CID3057901
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride
SMILESCCN(CC)CCCN1C(=O)CC(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-3-18(4-2)11-8-12-19-16(20)13-15(17(19)21)14-9-6-5-7-10-14;/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3;1H
InChIKeyWTBNAWQBHIHNMF-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride (CID 3057901) is 1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride is CCN(CC)CCCN1C(=O)CC(c2ccccc2)C1=O.Cl.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride?
The InChIKey is WTBNAWQBHIHNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-3-18(4-2)11-8-12-19-16(20)13-15(17(19)21)14-9-6-5-7-10-14;/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3;1H.
What are the key properties of 1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride?
1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 3057901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).