1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one

C12H15NO4 — CID 117014225

IUPAC1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
SMILESCOc1ccc(OC)c(N2CCC(O)C2=O)c1
InChIInChI=1S/C12H15NO4/c1-16-8-3-4-11(17-2)9(7-8)13-6-5-10(14)12(13)15/h3-4,7,10,14H,5-6H2,1-2H3
InChIKeyBBRYPSMXEDRTEH-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.80
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one

1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one (PubChem CID 117014225) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
PubChem CID117014225
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
SMILESCOc1ccc(OC)c(N2CCC(O)C2=O)c1
InChIInChI=1S/C12H15NO4/c1-16-8-3-4-11(17-2)9(7-8)13-6-5-10(14)12(13)15/h3-4,7,10,14H,5-6H2,1-2H3
InChIKeyBBRYPSMXEDRTEH-UHFFFAOYSA-N
XLogP0.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one
CID 117013938
2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid
CID 21203784
(1S,2R,6R,7S)-4-(2,5-dimethoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98477124
(1S,2S,6S,7S)-4-(2,5-dimethoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306131
1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24715908
1-(2,5-dimethoxyphenyl)imidazolidine-2,4-dione
CID 4770213
1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46048576
(3S)-4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322966
4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 46036434
1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 57198893
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
methyl 1-[(3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9396744

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one (CID 117014225) is 1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one is COc1ccc(OC)c(N2CCC(O)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is BBRYPSMXEDRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-8-3-4-11(17-2)9(7-8)13-6-5-10(14)12(13)15/h3-4,7,10,14H,5-6H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one?
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 237.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 117014225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).