1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione

C12H16N2O3 — CID 62524032

IUPAC1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCc2ccc(C)o2)C1=O
InChIInChI=1S/C12H16N2O3/c1-3-14-11(15)6-10(12(14)16)13-7-9-5-4-8(2)17-9/h4-5,10,13H,3,6-7H2,1-2H3
InChIKeyRNSPVJZHQRVFQR-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.83
Rot. Bonds4

About 1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione

1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 62524032) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID62524032
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCc2ccc(C)o2)C1=O
InChIInChI=1S/C12H16N2O3/c1-3-14-11(15)6-10(12(14)16)13-7-9-5-4-8(2)17-9/h4-5,10,13H,3,6-7H2,1-2H3
InChIKeyRNSPVJZHQRVFQR-UHFFFAOYSA-N
XLogP0.83
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione (CID 62524032) is 1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione is CCN1C(=O)CC(NCc2ccc(C)o2)C1=O.
What is the InChIKey of 1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is RNSPVJZHQRVFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-14-11(15)6-10(12(14)16)13-7-9-5-4-8(2)17-9/h4-5,10,13H,3,6-7H2,1-2H3.
What are the key properties of 1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione?
1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 62524032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).