4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one

C13H18N2O3 — CID 168699576

IUPAC4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1OCCN1CC(N)CC1=O
InChIInChI=1S/C13H18N2O3/c1-17-11-4-2-3-5-12(11)18-7-6-15-9-10(14)8-13(15)16/h2-5,10H,6-9,14H2,1H3
InChIKeyQUQMPJSPMCHMHQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.63
Rot. Bonds5

About 4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one

4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one (PubChem CID 168699576) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
PubChem CID168699576
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1OCCN1CC(N)CC1=O
InChIInChI=1S/C13H18N2O3/c1-17-11-4-2-3-5-12(11)18-7-6-15-9-10(14)8-13(15)16/h2-5,10H,6-9,14H2,1H3
InChIKeyQUQMPJSPMCHMHQ-UHFFFAOYSA-N
XLogP0.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one (CID 168699576) is 4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one is COc1ccccc1OCCN1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is QUQMPJSPMCHMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-11-4-2-3-5-12(11)18-7-6-15-9-10(14)8-13(15)16/h2-5,10H,6-9,14H2,1H3.
What are the key properties of 4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one?
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168699576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).