1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione

C14H17NO2 — CID 59687464

IUPAC1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(C)C(=O)C1C(C)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-9(11-7-5-4-6-8-11)12-10(2)13(16)15(3)14(12)17/h4-10,12H,1-3H3
InChIKeyTVCQIBLLSWIVCZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds2

About 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione

1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 59687464) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione
PubChem CID59687464
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(C)C(=O)C1C(C)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-9(11-7-5-4-6-8-11)12-10(2)13(16)15(3)14(12)17/h4-10,12H,1-3H3
InChIKeyTVCQIBLLSWIVCZ-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione (CID 59687464) is 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione is CC1C(=O)N(C)C(=O)C1C(C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is TVCQIBLLSWIVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(11-7-5-4-6-8-11)12-10(2)13(16)15(3)14(12)17/h4-10,12H,1-3H3.
What are the key properties of 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione?
1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 231.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59687464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).