1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione

C19H18ClNO2 — CID 89315616

IUPAC1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCl
InChIInChI=1S/C19H18ClNO2/c20-12-7-13-21-17(22)14-19(18(21)23,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2
InChIKeyFMEQZECJRBBCDN-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.36
Rot. Bonds5

About 1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione

1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione (PubChem CID 89315616) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione
PubChem CID89315616
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCl
InChIInChI=1S/C19H18ClNO2/c20-12-7-13-21-17(22)14-19(18(21)23,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2
InChIKeyFMEQZECJRBBCDN-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione (CID 89315616) is 1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCl.
What is the InChIKey of 1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione?
The InChIKey is FMEQZECJRBBCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-12-7-13-21-17(22)14-19(18(21)23,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2.
What are the key properties of 1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione?
1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione has a molecular weight of 327.81 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione is sourced from PubChem (CID 89315616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).