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

C17H24N2O2 — CID 98101275

IUPAC(3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione
SMILESCCN(CC)CCCN1C(=O)C[C@H](c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/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/t15-/m1/s1
InChIKeyCTKCSDYLLGSFQU-OAHLLOKOSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds7

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

(3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 98101275) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID98101275
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione
SMILESCCN(CC)CCCN1C(=O)C[C@H](c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/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/t15-/m1/s1
InChIKeyCTKCSDYLLGSFQU-OAHLLOKOSA-N
XLogP2.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.26
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 (3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione (CID 98101275) is (3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione is CCN(CC)CCCN1C(=O)C[C@H](c2ccccc2)C1=O.
What is the InChIKey of (3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is CTKCSDYLLGSFQU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O2/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/t15-/m1/s1.
What are the key properties of (3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
(3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 98101275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).