4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one

C14H19NO5 — CID 168702349

IUPAC4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1cc(CCN2CC(O)CC2=O)cc(OC)c1O
InChIInChI=1S/C14H19NO5/c1-19-11-5-9(6-12(20-2)14(11)18)3-4-15-8-10(16)7-13(15)17/h5-6,10,16,18H,3-4,7-8H2,1-2H3
InChIKeySIXGFTNHQZGPMI-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.55
Rot. Bonds5

About 4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one

4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 168702349) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID168702349
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1cc(CCN2CC(O)CC2=O)cc(OC)c1O
InChIInChI=1S/C14H19NO5/c1-19-11-5-9(6-12(20-2)14(11)18)3-4-15-8-10(16)7-13(15)17/h5-6,10,16,18H,3-4,7-8H2,1-2H3
InChIKeySIXGFTNHQZGPMI-UHFFFAOYSA-N
XLogP0.55
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708638
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702309
1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168701836
1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702055
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702642
4-chloro-1-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168687879
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
1-[2-(3-chloro-4-ethoxy-5-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20985584
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-oxopiperidin-4-yl]propanedioic acid
CID 141018843
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-bis(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55348796
methyl 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693183

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one (CID 168702349) is 4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one is COc1cc(CCN2CC(O)CC2=O)cc(OC)c1O.
What is the InChIKey of 4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is SIXGFTNHQZGPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-11-5-9(6-12(20-2)14(11)18)3-4-15-8-10(16)7-13(15)17/h5-6,10,16,18H,3-4,7-8H2,1-2H3.
What are the key properties of 4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one?
4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 281.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168702349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).