(2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one

C14H15NO3 — CID 102442768

IUPAC(2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCO[C@H]1C=CC(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C14H15NO3/c1-18-14-10-9-13(17)15(14)12(16)8-7-11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3/t14-/m0/s1
InChIKeyMRNPTAZQENDIGM-AWEZNQCLSA-N
MW245.28 g/mol
LogP1.52
Rot. Bonds4

About (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one

(2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one (PubChem CID 102442768) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one
PubChem CID102442768
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCO[C@H]1C=CC(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C14H15NO3/c1-18-14-10-9-13(17)15(14)12(16)8-7-11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3/t14-/m0/s1
InChIKeyMRNPTAZQENDIGM-AWEZNQCLSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one (CID 102442768) is (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one is CO[C@H]1C=CC(=O)N1C(=O)CCc1ccccc1.
What is the InChIKey of (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is MRNPTAZQENDIGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-14-10-9-13(17)15(14)12(16)8-7-11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one?
(2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 245.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-1-(3-phenylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 102442768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).