1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione

C14H16ClNO2 — CID 23271640

IUPAC1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(C(C)(CCl)N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H16ClNO2/c1-10-3-5-11(6-4-10)14(2,9-15)16-12(17)7-8-13(16)18/h3-6H,7-9H2,1-2H3
InChIKeyMECGIXWQWFGBRN-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.60
Rot. Bonds3

About 1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione

1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione (PubChem CID 23271640) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione
PubChem CID23271640
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(C(C)(CCl)N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H16ClNO2/c1-10-3-5-11(6-4-10)14(2,9-15)16-12(17)7-8-13(16)18/h3-6H,7-9H2,1-2H3
InChIKeyMECGIXWQWFGBRN-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.60
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-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione (CID 23271640) is 1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione is Cc1ccc(C(C)(CCl)N2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione?
The InChIKey is MECGIXWQWFGBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10-3-5-11(6-4-10)14(2,9-15)16-12(17)7-8-13(16)18/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione?
1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione has a molecular weight of 265.74 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(4-methylphenyl)propan-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 23271640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).