1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione

C15H17NO4 — CID 2875807

IUPAC1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(C3CCCO3)C2=O)cc1
InChIInChI=1S/C15H17NO4/c1-19-11-6-4-10(5-7-11)16-14(17)9-12(15(16)18)13-3-2-8-20-13/h4-7,12-13H,2-3,8-9H2,1H3
InChIKeyGHVBNWMNHPAMCU-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.75
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione (PubChem CID 2875807) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione
PubChem CID2875807
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(C3CCCO3)C2=O)cc1
InChIInChI=1S/C15H17NO4/c1-19-11-6-4-10(5-7-11)16-14(17)9-12(15(16)18)13-3-2-8-20-13/h4-7,12-13H,2-3,8-9H2,1H3
InChIKeyGHVBNWMNHPAMCU-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindol-2(3H)-yl)phenyl acetate
CID 2861679
2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 203808
3-Benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 646754
N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 2925020
2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2853944
3-[(3,5-Dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2865533
1-(4-Ethoxy-phenyl)-3-(1-phenyl-ethyl)-pyrrolidine-2,5-dione
CID 2865903
N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 2948308
2-(4-Ethoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 3043547
2-(2-Methoxyphenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CID 89367
1-(4-Methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]pyrrolidine-2,5-dione
CID 2876329
4-(2,5-Dioxopyrrolidin-1-yl)phenyl heptanoate
CID 3742273

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione (CID 2875807) is 1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(C3CCCO3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is GHVBNWMNHPAMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-19-11-6-4-10(5-7-11)16-14(17)9-12(15(16)18)13-3-2-8-20-13/h4-7,12-13H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 275.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2875807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).