(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione

C14H17NO3 — CID 102380691

IUPAC(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](C(C)C)C2=O)cc1
InChIInChI=1S/C14H17NO3/c1-9(2)12-8-13(16)15(14(12)17)10-4-6-11(18-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1
InChIKeyDPKLMUDUQSSYBX-LBPRGKRZSA-N
MW247.29 g/mol
LogP2.23
Rot. Bonds3

About (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione

(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 102380691) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID102380691
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](C(C)C)C2=O)cc1
InChIInChI=1S/C14H17NO3/c1-9(2)12-8-13(16)15(14(12)17)10-4-6-11(18-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1
InChIKeyDPKLMUDUQSSYBX-LBPRGKRZSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione
CID 71287959
1-(4-methoxyphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2732615
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055
1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 145439446
4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylic acid
CID 21148227
1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione
CID 141142430
(3R)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 96838015
cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4744551
(3S)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 97290160
3-(4-benzhydrylpiperazin-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2849630
2-(4-methoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3577375

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione (CID 102380691) is (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@@H](C(C)C)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is DPKLMUDUQSSYBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)12-8-13(16)15(14(12)17)10-4-6-11(18-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione?
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 247.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 102380691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).