(3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione

C19H25NO3 — CID 162896123

IUPAC(3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESC=C(C)CCOc1ccc([C@H]2C(=O)NC(=O)[C@@H]2CC(C)C)cc1
InChIInChI=1S/C19H25NO3/c1-12(2)9-10-23-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20-19(17)22/h5-8,13,16-17H,1,9-11H2,2-4H3,(H,20,21,22)/t16-,17-/m1/s1
InChIKeyRRUSUWLPNDEQGG-IAGOWNOFSA-N
MW315.41 g/mol
LogP3.43
Rot. Bonds7

About (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione

(3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione (PubChem CID 162896123) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione
PubChem CID162896123
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESC=C(C)CCOc1ccc([C@H]2C(=O)NC(=O)[C@@H]2CC(C)C)cc1
InChIInChI=1S/C19H25NO3/c1-12(2)9-10-23-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20-19(17)22/h5-8,13,16-17H,1,9-11H2,2-4H3,(H,20,21,22)/t16-,17-/m1/s1
InChIKeyRRUSUWLPNDEQGG-IAGOWNOFSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-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

Rolipram
CID 5092
Ciglitazone
CID 2750
(S)-Rolipram
CID 158758
4-Butoxybenzeneacetamide
CID 76952
2,5-Pyrrolidinedione, 3-(4-(1-methylethoxy)phenyl)-
CID 214258
(-)-Rolipram
CID 448055
3-isobutyl-4-(4-(3-methyl-2-butenyloxy)phenyl)-1H-pyrrol-1-ol-2,5-dione
CID 641729
Succinimide, 2,2'-((pentamethylenedioxy)di-p-phenylene)di-
CID 3071136
3-(4-Hexyloxy-phenyl)-succinamic acid
CID 651854
3-(4-Heptyloxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3095544
1-Methyl-3-[4-(3-methylbutoxy)phenyl]pyrrolidine-2,5-dione
CID 3100539
3-(4-Isopropoxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3105271

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione (CID 162896123) is (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione is C=C(C)CCOc1ccc([C@H]2C(=O)NC(=O)[C@@H]2CC(C)C)cc1.
What is the InChIKey of (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione?
The InChIKey is RRUSUWLPNDEQGG-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12(2)9-10-23-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20-19(17)22/h5-8,13,16-17H,1,9-11H2,2-4H3,(H,20,21,22)/t16-,17-/m1/s1.
What are the key properties of (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione?
(3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione has a molecular weight of 315.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 162896123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).