(3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione

C15H19NO2 — CID 86575919

IUPAC(3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(CCCc2ccccc2)C(=O)[C@@H]1C
InChIInChI=1S/C15H19NO2/c1-11-12(2)15(18)16(14(11)17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3/t11-,12+
InChIKeyAJYJBYUFTLAPIV-TXEJJXNPSA-N
MW245.32 g/mol
LogP2.26
Rot. Bonds4

About (3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione

(3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione (PubChem CID 86575919) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione
PubChem CID86575919
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(CCCc2ccccc2)C(=O)[C@@H]1C
InChIInChI=1S/C15H19NO2/c1-11-12(2)15(18)16(14(11)17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3/t11-,12+
InChIKeyAJYJBYUFTLAPIV-TXEJJXNPSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.26
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 (3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione (CID 86575919) is (3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione is C[C@@H]1C(=O)N(CCCc2ccccc2)C(=O)[C@@H]1C.
What is the InChIKey of (3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione?
The InChIKey is AJYJBYUFTLAPIV-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-12(2)15(18)16(14(11)17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3/t11-,12+.
What are the key properties of (3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione?
(3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione has a molecular weight of 245.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethyl-1-(3-phenylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 86575919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).