5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one

C12H16N2O2 — CID 107530711

IUPAC5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one
SMILESNCc1ccc(OCC2CCC(=O)N2)cc1
InChIInChI=1S/C12H16N2O2/c13-7-9-1-4-11(5-2-9)16-8-10-3-6-12(15)14-10/h1-2,4-5,10H,3,6-8,13H2,(H,14,15)
InChIKeyYLEMDMLYMLTPER-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.80
Rot. Bonds4

About 5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one

5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one (PubChem CID 107530711) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one
PubChem CID107530711
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one
SMILESNCc1ccc(OCC2CCC(=O)N2)cc1
InChIInChI=1S/C12H16N2O2/c13-7-9-1-4-11(5-2-9)16-8-10-3-6-12(15)14-10/h1-2,4-5,10H,3,6-8,13H2,(H,14,15)
InChIKeyYLEMDMLYMLTPER-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one
CID 114281692
5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one
CID 117051927
5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one
CID 143178317
(5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one
CID 71227408
5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one
CID 107530708
[4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine
CID 97052425
4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one
CID 117095321
(5S)-5-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 86767658
5-amino-2-[(5-oxopyrrolidin-2-yl)methoxy]benzonitrile
CID 114281510
[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
CID 84674541
5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
CID 60727737
(5-oxopyrrolidin-2-yl)methyl formate
CID 21221170

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one (CID 107530711) is 5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one is NCc1ccc(OCC2CCC(=O)N2)cc1.
What is the InChIKey of 5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one?
The InChIKey is YLEMDMLYMLTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-7-9-1-4-11(5-2-9)16-8-10-3-6-12(15)14-10/h1-2,4-5,10H,3,6-8,13H2,(H,14,15).
What are the key properties of 5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one?
5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).