1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone

C14H19NO3 — CID 54886074

IUPAC1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCCN1CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H19NO3/c1-2-10-4-3-7-15(10)9-14(18)12-6-5-11(16)8-13(12)17/h5-6,8,10,16-17H,2-4,7,9H2,1H3
InChIKeyWVMAKHDZOWCOJG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.15
Rot. Bonds4

About 1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone

1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone (PubChem CID 54886074) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
PubChem CID54886074
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCCN1CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H19NO3/c1-2-10-4-3-7-15(10)9-14(18)12-6-5-11(16)8-13(12)17/h5-6,8,10,16-17H,2-4,7,9H2,1H3
InChIKeyWVMAKHDZOWCOJG-UHFFFAOYSA-N
XLogP2.15
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 82749840
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345
1-(3-bromophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886122
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120
(2,4-dihydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261819
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
(2,4-dihydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030278
4-[2-(2-ethylpyrrolidin-1-yl)acetyl]benzonitrile
CID 54885976
2-(2-ethylpiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227563
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 110654615
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43219698

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone (CID 54886074) is 1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone is CCC1CCCN1CC(=O)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone?
The InChIKey is WVMAKHDZOWCOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-10-4-3-7-15(10)9-14(18)12-6-5-11(16)8-13(12)17/h5-6,8,10,16-17H,2-4,7,9H2,1H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone?
1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 54886074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).