1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one

C14H19NO3 — CID 117021917

IUPAC1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
SMILESCCOc1ccc(N2C(=O)CC(CO)C2C)cc1
InChIInChI=1S/C14H19NO3/c1-3-18-13-6-4-12(5-7-13)15-10(2)11(9-16)8-14(15)17/h4-7,10-11,16H,3,8-9H2,1-2H3
InChIKeyZRHNWWIDUDHNBV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.82
Rot. Bonds4

About 1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one

1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one (PubChem CID 117021917) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
PubChem CID117021917
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
SMILESCCOc1ccc(N2C(=O)CC(CO)C2C)cc1
InChIInChI=1S/C14H19NO3/c1-3-18-13-6-4-12(5-7-13)15-10(2)11(9-16)8-14(15)17/h4-7,10-11,16H,3,8-9H2,1-2H3
InChIKeyZRHNWWIDUDHNBV-UHFFFAOYSA-N
XLogP1.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021935
3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one
CID 112757927
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one
CID 117014032
1-(2-tert-butylphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021896
(3aS,7aR)-2-(4-ethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7032574
(3aR,7aR)-2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 872279
2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2853944
4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 117022534
[(3S,4S)-1-(4-ethoxyphenyl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
CID 129003855
2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 5309890
4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 72770677

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one (CID 117021917) is 1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one is CCOc1ccc(N2C(=O)CC(CO)C2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one?
The InChIKey is ZRHNWWIDUDHNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-13-6-4-12(5-7-13)15-10(2)11(9-16)8-14(15)17/h4-7,10-11,16H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one?
1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 117021917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).