(4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione

C19H17NO3 — CID 8991301

IUPAC(4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(C(=O)CCc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H17NO3/c21-17(12-11-14-7-3-1-4-8-14)20-13-16(18(22)19(20)23)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m1/s1
InChIKeyQJIMKQYDAYCRBZ-MRXNPFEDSA-N
MW307.35 g/mol
LogP2.34
Rot. Bonds4

About (4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione

(4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione (PubChem CID 8991301) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione
PubChem CID8991301
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(C(=O)CCc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H17NO3/c21-17(12-11-14-7-3-1-4-8-14)20-13-16(18(22)19(20)23)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m1/s1
InChIKeyQJIMKQYDAYCRBZ-MRXNPFEDSA-N
XLogP2.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one
CID 112534759
(4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione
CID 8991325
methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate
CID 10492694
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
CID 47082882
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
CID 46937357
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120749289
N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 8991326
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-phenylpropan-1-one
CID 72696506
3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
CID 56907792
5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11064736

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione?
The IUPAC name of (4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione (CID 8991301) is (4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione is O=C1C(=O)N(C(=O)CCc2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione?
The InChIKey is QJIMKQYDAYCRBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17NO3/c21-17(12-11-14-7-3-1-4-8-14)20-13-16(18(22)19(20)23)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m1/s1.
What are the key properties of (4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione?
(4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione has a molecular weight of 307.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 8991301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).