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

C14H18N2O3 — CID 75425632

IUPAC1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCCOc1ccc(CN2C(=O)CC(C)(C)C2=O)nc1
InChIInChI=1S/C14H18N2O3/c1-4-19-11-6-5-10(15-8-11)9-16-12(17)7-14(2,3)13(16)18/h5-6,8H,4,7,9H2,1-3H3
InChIKeyQOTXLYUYDOGZPU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.77
Rot. Bonds4

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

1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 75425632) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID75425632
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCCOc1ccc(CN2C(=O)CC(C)(C)C2=O)nc1
InChIInChI=1S/C14H18N2O3/c1-4-19-11-6-5-10(15-8-11)9-16-12(17)7-14(2,3)13(16)18/h5-6,8H,4,7,9H2,1-3H3
InChIKeyQOTXLYUYDOGZPU-UHFFFAOYSA-N
XLogP1.77
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.77
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]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 75425632) is 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione is CCOc1ccc(CN2C(=O)CC(C)(C)C2=O)nc1.
What is the InChIKey of 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is QOTXLYUYDOGZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-19-11-6-5-10(15-8-11)9-16-12(17)7-14(2,3)13(16)18/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.77, 4 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]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 75425632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).