1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C16H22N2O3 — CID 71971974

IUPAC1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCCOc1ccc(CN2C(=O)CC(C)(C(C)C)C2=O)nc1
InChIInChI=1S/C16H22N2O3/c1-5-21-13-7-6-12(17-9-13)10-18-14(19)8-16(4,11(2)3)15(18)20/h6-7,9,11H,5,8,10H2,1-4H3
InChIKeyDPXYIFOZUULCSK-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.40
Rot. Bonds5

About 1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 71971974) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID71971974
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCCOc1ccc(CN2C(=O)CC(C)(C(C)C)C2=O)nc1
InChIInChI=1S/C16H22N2O3/c1-5-21-13-7-6-12(17-9-13)10-18-14(19)8-16(4,11(2)3)15(18)20/h6-7,9,11H,5,8,10H2,1-4H3
InChIKeyDPXYIFOZUULCSK-UHFFFAOYSA-N
XLogP2.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
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-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 71971974) is 1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CCOc1ccc(CN2C(=O)CC(C)(C(C)C)C2=O)nc1.
What is the InChIKey of 1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is DPXYIFOZUULCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-21-13-7-6-12(17-9-13)10-18-14(19)8-16(4,11(2)3)15(18)20/h6-7,9,11H,5,8,10H2,1-4H3.
What are the key properties of 1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 71971974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).