1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione

C18H20N2O5 — CID 5086510

IUPAC1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
SMILESCc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN(C)C)o1
InChIInChI=1S/C18H20N2O5/c1-11-6-7-12(25-11)15-14(16(21)13-5-4-10-24-13)17(22)18(23)20(15)9-8-19(2)3/h4-7,10,14-15H,8-9H2,1-3H3
InChIKeyDLXOFIJMIBVEBK-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.69
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione

1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione (PubChem CID 5086510) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
PubChem CID5086510
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
SMILESCc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN(C)C)o1
InChIInChI=1S/C18H20N2O5/c1-11-6-7-12(25-11)15-14(16(21)13-5-4-10-24-13)17(22)18(23)20(15)9-8-19(2)3/h4-7,10,14-15H,8-9H2,1-3H3
InChIKeyDLXOFIJMIBVEBK-UHFFFAOYSA-N
XLogP1.69
TPSA83.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 4746575
5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
CID 44510473
3-[3-(2,5-dimethylbenzoyl)-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]propyl-dimethylazanium
CID 4753092
1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 91898048
(2S)-1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 1081115
1-[2-(dimethylamino)ethyl]-4-(4-fluorobenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 4056654
4-(furan-2-carbonyl)-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 4756283
1-[2-(dimethylamino)ethyl]-4-(2,5-dimethylbenzoyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 4115572
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 91896319
4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 91896461
1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 2910512
(2S)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 7366501

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione (CID 5086510) is 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione is Cc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN(C)C)o1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?
The InChIKey is DLXOFIJMIBVEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-6-7-12(25-11)15-14(16(21)13-5-4-10-24-13)17(22)18(23)20(15)9-8-19(2)3/h4-7,10,14-15H,8-9H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?
1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione has a molecular weight of 344.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 5086510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).