(4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone

C14H19NO3 — CID 1243559

IUPAC(4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C14H19NO3/c1-3-18-12-7-6-11(10-13(12)17-2)14(16)15-8-4-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeySRYKTVUIWJETBF-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.33
Rot. Bonds4

About (4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone

(4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 1243559) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
PubChem CID1243559
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C14H19NO3/c1-3-18-12-7-6-11(10-13(12)17-2)14(16)15-8-4-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeySRYKTVUIWJETBF-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone (CID 1243559) is (4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone is CCOc1ccc(C(=O)N2CCCC2)cc1OC.
What is the InChIKey of (4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is SRYKTVUIWJETBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-12-7-6-11(10-13(12)17-2)14(16)15-8-4-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of (4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone?
(4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 249.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methoxyphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1243559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).