5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C14H19NO3 — CID 3077958

IUPAC5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C14H19NO3/c1-3-18-14-9-8-13(16)15(14)10-11-4-6-12(17-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChIKeyMFBSNWYKMJYOMX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds5

About 5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 3077958) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID3077958
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C14H19NO3/c1-3-18-14-9-8-13(16)15(14)10-11-4-6-12(17-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChIKeyMFBSNWYKMJYOMX-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 3077958) is 5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is CCOC1CCC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is MFBSNWYKMJYOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-14-9-8-13(16)15(14)10-11-4-6-12(17-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of 5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 3077958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).